# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T17:13:54+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical Science') AND volume = 15 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
"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",""
"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",""
"1570375","21.5943","0.0005","5.8735","0.0001","9.8361","0.0002","90","","100.575","0.002","90","","1226.36","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N2 O2 S -","- C12 H13 F N2 O2 S -","- C48 H52 F4 N8 O8 S4 -","4","1","","Punjajom, Kunlayanee; Sinclair, Paul P.; Saha, Ishika; Seierstad, Mark; Ameriks, Michael K.; García-Reynaga, Pablo; Lebold, Terry P.; Sarpong, Richmond","Convergent synthesis of thiodiazole dioxides from simple ketones and amines through an unusual nitrogen-migration mechanism.","Chemical science","2023","15","1","328","335","10.1039/d3sc04478e","","x-ray","1.54184","CuKα","","0.0448","0.0391","","","0.105","0.1089","","","","","","1.065","","","","has coordinates","289398","2024-02-04","11:27:03",""
"1570391","17.7546","0.0004","15.532","0.0003","28.3321","0.0006","90","","99.228","0.001","90","","7711.9","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(dibromomethyl)(triphenyl)phosphanium bromide","","- C19 H16 Br3 P -","- C19 H16 Br3 P -","- C304 H256 Br48 P16 -","16","2","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0433","0.0328","","","0.0806","0.0878","","","","","","1.029","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570392","32.27","0.002","32.27","0.002","11.323","0.0008","90","","90","","120","","10211.5","1.1","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","dibromomethyl)triphenylphosphonium bromide nitromethane solvate","","- C20 H19 Br3 N O2 P -","- C20 H19 Br3 N O2 P -","- C360 H342 Br54 N18 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0308","0.0278","","","0.0647","0.0674","","","","","","1.042","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570393","33.1499","0.0005","33.1499","0.0005","11.1629","0.0002","90","","90","","120","","10623.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetonitrile solvate","","- C21 H19 Br3 N P -","- C21 H19 Br3 N P -","- C378 H342 Br54 N18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0407","0.0372","","","0.0977","0.1014","","","","","","1.064","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570394","32.4936","0.0008","32.4936","0.0008","11.3322","0.0008","90","","90","","120","","10361.9","0.8","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetic acid solvate","","- C21 H20 Br3 O2 P -","- C21 H20 Br3 O2 P -","- C378 H360 Br54 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0352","0.0333","","","0.0841","0.0859","","","","","","1.055","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570395","33.4263","0.0004","33.4263","0.0004","11.2099","0.0002","90","","90","","120","","10847","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 2-butanone solvate","","- C23 H24 Br3 O P -","- C23 H24 Br3 O P -","- C414 H432 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0317","0.0291","","","0.07","0.0723","","","","","","1.077","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570396","32.283","0.002","32.283","0.002","11.5522","0.0008","90","","90","","120","","10426.6","1.2","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide prop-2-enoic acid","","- C22 H20 Br3 O2 P -","- C22 H20 Br3 O2 P -","- C396 H360 Br54 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0457","0.0411","","","0.0957","0.0994","","","","","","1.054","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570397","33.612","0.002","33.612","0.002","11.4292","0.0007","90","","90","","120","","11182.4","1.2","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide N-Methylpyrrolidone solvate","","- C24 H25 Br3 N O P -","- C24 H25 Br3 N O P -","- C432 H450 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0741","0.0419","","","0.1021","0.1365","","","","","","1.086","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570398","33.4643","0.0005","33.4643","0.0005","11.1613","0.0002","90","","90","","120","","10824.5","0.3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylsulfoxide solvate","","- C21 H22 Br3 O P S -","- C21 H22 Br3 O P S -","- C378 H396 Br54 O18 P18 S18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0412","0.0393","","","0.1037","0.1059","","","","","","1.065","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570399","33.1823","0.0009","33.1823","0.0009","11.4506","0.0003","90","","90","","120","","10918.7","0.5","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylformamide solvate","","- C22 H23 Br3 N O P -","- C22 H23 Br3 N O P -","- C396 H414 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0553","0.0445","","","0.1179","0.1319","","","","","","1.056","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570400","33.0726","0.0018","33.0726","0.0018","11.369","0.0006","90","","90","","120","","10769.4","1","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide dimethylacetamide solvate","","- C23 H25 Br3 N O P -","- C23 H25 Br3 N O P -","- C414 H450 Br54 N18 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0309","0.0295","","","0.0693","0.0701","","","","","","1.067","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570401","33.144","0.0005","33.144","0.0005","11.465","0.0002","90","","90","","120","","10907.2","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 1-isobutylaldehyde","","- C22 H22 Br3 O0.75 P -","- C22 H22 Br3 O0.75 P -","- C396 H396 Br54 O13.5 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.042","0.037","","","0.0891","0.0945","","","","","","1.046","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570402","33.0003","0.0006","33.0003","0.0006","11.135","0.0002","90","","90","","120","","10501.6","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide acetone solvate","","- C22 H22 Br3 O P -","- C22 H22 Br3 O P -","- C396 H396 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0357","0.0291","","","0.0655","0.0711","","","","","","1.083","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570403","32.9862","0.0015","32.9862","0.0015","12.0449","0.0008","90","","90","","120","","11350.1","1","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","(diiodomethyl)(triphenyl)phosphanium iodide nitromethane solvate","","- C20 H19 I3 N O2 P -","- C20 H19 I3 N O2 P -","- C360 H342 I54 N18 O36 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0976","0.0599","","","0.152","0.1826","","","","","","1.047","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570404","32.8602","0.0012","32.8602","0.0012","11.266","0.0004","90","","90","","120","","10535.2","0.7","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide 1-proprionaldehyde","","- C42 H41 Br6 O P2 -","- C42 H41 Br6 O P2 -","- C378 H369 Br54 O9 P18 -","9","0.5","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0662","0.0554","","","0.1595","0.1764","","","","","","1.029","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570405","32.8339","0.0005","32.8339","0.0005","11.1368","0.0002","90","","90","","120","","10397.7","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)(triphenyl)phosphanium bromide acetaldehyde","","- C21 H20 Br3 O P -","- C21 H20 Br3 O P -","- C378 H360 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0382","0.0313","","","0.0907","0.098","","","","","","1.046","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"1570406","14.8074","0.0002","12.4892","0.0002","20.5366","0.0003","90","","90","","90","","3797.89","0.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(iodomethyl)(triphenyl)phosphanium iodide","","- C19 H17 I2 P -","- C19 H17 I2 P -","- C152 H136 I16 P8 -","8","2","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0232","0.0221","","","0.0527","0.0538","","","","","","1.054","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570407","12.2883","0.0002","12.5399","0.0002","12.1077","0.0002","90","","90","","90","","1865.72","0.05","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(dichloromethyl)triphenylphosphonium chloride","","- C19 H16 Cl3 P -","- C19 H16 Cl3 P -","- C76 H64 Cl12 P4 -","4","0.5","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0539","0.0371","","","0.0827","0.1","","","","","","1.053","","","","has coordinates","289397","2024-02-04","11:26:51",""
"1570408","33.2157","0.0004","33.2157","0.0004","11.3174","0.0002","90","","90","","120","","10813.4","0.3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","(dibromomethyl)triphenylphosphonium bromide cyclobutanone","","- C23 H22 Br3 O P -","- C23 H22 Br3 O P -","- C414 H396 Br54 O18 P18 -","18","1","","Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav","Supramolecular ""baking powder"": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.","Chemical science","2023","15","1","298","306","10.1039/d2sc04615f","","","1.54178","CuKα","","0.0356","0.0316","","","0.0999","0.1052","","","","","","1.053","","","","has coordinates,has disorder","289397","2024-02-04","11:26:51",""
"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",""
"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",""
"1570426","15.9708","0.0014","16.8532","0.0014","19.6348","0.0016","98.989","0.002","107.266","0.002","97.797","0.002","4891","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H138 N6 O3 P -","- C107 H138 N6 O3 P -","- C214 H276 N12 O6 P2 -","2","1","","Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H.","A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting.","Chemical science","2023","15","1","389","398","10.1039/d3sc03685e","","","0.71073","MoKα","","0.1291","0.0924","","","0.2653","0.303","","","","","","1.03","","","","has coordinates,has disorder","289396","2024-02-04","11:25:32",""
"1570427","16.3782","0.0004","16.4347","0.0006","18.8864","0.0006","111.457","0.001","112.34","0.002","97.462","0.001","4157.2","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H109 N6 O3 P -","- C89 H109 N6 O3 P -","- C178 H218 N12 O6 P2 -","2","1","","Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H.","A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting.","Chemical science","2023","15","1","389","398","10.1039/d3sc03685e","","","0.71073","MoKα","","0.1675","0.08","","","0.2243","0.2471","","","","","","1.086","","","","has coordinates,has disorder","289396","2024-02-04","11:25:32",""
"1570428","16.3882","0.0007","16.4992","0.0007","19.1849","0.0008","111.893","0.001","111.74","0.002","97.594","0.002","4245.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H115 N8 O3 P -","- C93 H115 N8 O3 P -","- C186 H230 N16 O6 P2 -","2","1","","Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H.","A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting.","Chemical science","2023","15","1","389","398","10.1039/d3sc03685e","","","0.71073","MoKα","","0.1078","0.0927","","","0.2592","0.2805","","","","","","1.031","","","","has coordinates,has disorder","289396","2024-02-04","11:25:32",""
"1570429","31.691","0.0006","6.6329","0.0001","25.7816","0.0005","90","","112.057","0.001","90","","5022.74","0.16","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 F N2 O2 -","- C32 H27 F N2 O2 -","- C256 H216 F8 N16 O16 -","8","1","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54178","CuKα","","0.0643","0.0412","","","0.0939","0.1059","","","","","","1.044","","","","has coordinates","289395","2024-02-04","11:25:18",""
"1570430","10.5292","0.0002","12.5977","0.0002","20.0573","0.0004","90","","103.635","0.001","90","","2585.49","0.08","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 F5 N2 O -","- C30 H23 F5 N2 O -","- C120 H92 F20 N8 O4 -","4","1","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54178","CuKα","","0.1236","0.0733","","","0.1918","0.2363","","","","","","1.021","","","","has coordinates,has disorder","289395","2024-02-04","11:25:18",""
"1570431","6.8195","0.0006","19.5313","0.0009","20.5319","0.0017","96.793","0.005","95.64","0.007","99.888","0.005","2655.5","0.4","200.15","","200.15","","","","","","","","","4","P 1","P 1","1","","","","- C33 H30.13 N2 O2 -","- C33 H30.1303 N2 O2 -","- C132 H120.521 N8 O8 -","4","4","","Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca","Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.","Chemical science","2023","15","1","271","277","10.1039/d3sc05997a","","","1.54184","CuKα","","0.2066","0.1264","","","0.3063","0.3943","","","","","","1.005","","","","has coordinates,has disorder","289395","2024-02-04","11:25:18",""
"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",""
"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",""
"1570548","17.3928","0.0006","17.3928","0.0006","6.7688","0.0003","90","","90","","90","","2047.63","0.13","100","2","100","2","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H72 Cl2 N7 O14 Yb -","- C28 H72 Cl2 N7 O14 Yb -","- C56 H144 Cl4 N14 O28 Yb2 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0213","0.015","","","0.0328","0.0344","","","","","","1.134","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570549","17.4527","0.0009","17.4527","0.0009","6.7995","0.0004","90","","90","","90","","2071.11","0.19","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C3.11 H6.72 Cl0.22 Dy0.11 N0.78 O1.56 -","- C3.11111 H7.16667 Cl0.222222 Dy0.111111 N0.777778 O1.55556 -","- C56 H129 Cl4 Dy2 N14 O28 -","18","2.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0188","0.0169","","","0.0403","0.0414","","","","","","1.116","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570550","17.4345","0.0006","17.4345","0.0006","6.7946","0.0003","90","","90","","90","","2065.3","0.14","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H67 Cl2 N7 O14 Y -","- C28 H67 Cl2 N7 O14 Y -","- C56 H134 Cl4 N14 O28 Y2 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0529","0.0459","","","0.1177","0.1221","","","","","","1.038","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570551","17.3929","0.0006","17.3929","0.0006","6.7672","0.0004","90","","90","","90","","2047.17","0.16","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H30.5 Cl N3.5 O7 Tm0.5 -","- C14 H30.5 Cl N3.5 O7 Tm0.5 -","- C56 H122 Cl4 N14 O28 Tm2 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0435","0.0255","","","0.0518","0.0561","","","","","","1.062","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570552","17.4237","0.0009","17.4237","0.0009","6.7843","0.0005","90","","90","","90","","2059.6","0.2","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C28 H0.5 Cl2 Er N7 O14 -","- C28 H63 Cl2 Er N7 O14 -","- C56 H126 Cl4 Er2 N14 O28 -","2","0.25","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0264","0.0178","","","0.0365","0.0386","","","","","","1.098","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570553","17.4077","0.0007","17.4077","0.0007","6.773","0.0004","90","","90","","90","","2052.41","0.17","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H35.5 Cl Ho0.5 N3.5 O7 -","- C14 H33.5 Cl Ho0.5 N3.5 O7 -","- C56 H134 Cl4 Ho2 N14 O28 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0354","0.022","","","0.0458","0.049","","","","","","1.093","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"1570554","17.4148","0.0006","17.4148","0.0006","6.7819","0.0004","90","","90","","90","","2056.78","0.16","296","2","296.15","","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C14 H34.5 Cl N3.5 O7 Tb0.5 -","- C14 H34.5 Cl N3.5 O7 Tb0.5 -","- C56 H138 Cl4 N14 O28 Tb2 -","4","0.5","","Manvell, Anna Schannong; Pfleger, Rouven; Bonde, Niels Andreas; Briganti, Matteo; Mattei, Carlo Andrea; Nannestad, Theis Brock; Weihe, Høgni; Powell, Annie K.; Ollivier, Jacques; Bendix, Jesper; Perfetti, Mauro","LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry.","Chemical science","2023","15","1","113","123","10.1039/d3sc03928e","","","0.71073","MoKα","","0.0294","0.0195","","","0.0414","0.0439","","","","","","1.119","","","","has coordinates,has disorder","289394","2024-02-04","11:25:07",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"1571935","7.1686","0.0003","10.0266","0.0004","22.71","0.0009","90","","90","","90","","1632.32","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O2 -","- C18 H29 N O2 -","- C72 H116 N4 O8 -","4","1","","Gary, Samuel; Woolley, Jack; Goia, Sofia; Bloom, Steven","Unlocking flavin photoacid catalysis through electrophotochemistry.","Chemical science","2024","15","29","11444","11454","10.1039/d4sc03054k","","","1.54178","CuKα","","0.05","0.0263","","","0.076","0.078","","","","","","1.065","","","","has coordinates","293725","2024-08-05","17:51:25",""
"1571936","15.304","0.002","16.518","0.003","12.812","0.002","90","","104.845","0.01","90","","3130.7","0.9","193","2","193","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C68 H66 F4 N8 O4 S3 -","- C68 H66 F4 N8 O4 S3 -","- C136 H132 F8 N16 O8 S6 -","2","1","","Chen, Yuzhong; Wu, Zeng; Chen, Zekun; Zhang, Shuixin; Li, Wenhao; Zhao, Yan; Wang, Yang; Liu, Yunqi","Molecular ""backbone surgery"" of electron-deficient heteroarenes based on dithienopyrrolobenzothiadiazole: conformation-dependent crystal structures and charge transport properties.","Chemical science","2024","15","30","11761","11774","10.1039/d4sc02794a","","","1.34139","GaKα","","0.3318","0.1793","","","0.3712","0.4396","","","","","","1.176","","","","has coordinates","293765","2024-08-05","18:07:19",""
"1571937","13.8827","0.0007","16.3666","0.0009","18.0937","0.0011","103.449","0.005","104.665","0.004","107.099","0.004","3585.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H76 F4 N8 O4 S4 -","- C75 H76 F4 N8 O4 S4 -","- C150 H152 F8 N16 O8 S8 -","2","1","","Chen, Yuzhong; Wu, Zeng; Chen, Zekun; Zhang, Shuixin; Li, Wenhao; Zhao, Yan; Wang, Yang; Liu, Yunqi","Molecular ""backbone surgery"" of electron-deficient heteroarenes based on dithienopyrrolobenzothiadiazole: conformation-dependent crystal structures and charge transport properties.","Chemical science","2024","15","30","11761","11774","10.1039/d4sc02794a","","x-ray","1.54178","CuKα","","0.1718","0.1082","","","0.2528","0.2834","","","","","","1.046","","","","has coordinates","293765","2024-08-05","18:07:20",""
"1571938","10.9852","0.001","14.5835","0.0012","26.719","0.003","98.535","0.002","98.131","0.002","105.597","0.002","4002.6","0.7","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H86 F4 N8 O4 S5 -","- C82 H86 F4 N8 O4 S5 -","- C164 H172 F8 N16 O8 S10 -","2","1","","Chen, Yuzhong; Wu, Zeng; Chen, Zekun; Zhang, Shuixin; Li, Wenhao; Zhao, Yan; Wang, Yang; Liu, Yunqi","Molecular ""backbone surgery"" of electron-deficient heteroarenes based on dithienopyrrolobenzothiadiazole: conformation-dependent crystal structures and charge transport properties.","Chemical science","2024","15","30","11761","11774","10.1039/d4sc02794a","","x-ray","0.68878","synchrotronradiation","","0.1182","0.0903","","","0.2466","0.2774","","","","","","1.058","","","","has coordinates,has disorder","293765","2024-08-05","18:07:20",""
"1571942","12.0335","0.0002","6.213","0.0001","16.2341","0.0003","90","","109.152","0.001","90","","1146.55","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C62 H48 N4 O2 -","2","1","","Li, Yi; Ning, Lichao; Tang, Qi; Lan, Kexin; Yang, Bingqian; Lin, Qianchi; Feng, Xiaoming; Liu, Xiaohua","Asymmetric catalytic [1,3]- or [3,3]-sigmatropic rearrangement of 3-allyloxy-4<i>H</i>-chromenones and their analogues.","Chemical science","2024","15","28","11005","11012","10.1039/d4sc02201g","","","1.54178","CuKα","","0.0339","0.0316","","","0.0772","0.079","","","","","","1.07","","","","has coordinates","293742","2024-08-05","17:57:41",""
"1571943","11.5253","0.0003","11.264","0.0003","33.0222","0.001","90","","92.545","0.002","90","","4282.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C216 H208 O24 -","8","2","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0916","0.0707","","","0.1523","0.1651","","","","","","1.089","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571944","19.1851","0.0006","7.8229","0.0002","31.2872","0.0011","90","","90.51","0.003","90","","4695.5","0.3","120","2","120","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H30 O4 -","- C28.997 H29.995 O4 -","- C231.976 H239.96 O32 -","8","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0497","0.0456","","","0.1214","0.1261","","","","","","1.04","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571945","9.0694","0.0003","10.532","0.0003","17.2799","0.0006","90","","100.156","0.003","90","","1624.7","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0307","0.0294","","","0.0777","0.0785","","","","","","1.104","","","","has coordinates","293772","2024-08-05","18:11:12",""
"1571946","17.6068","0.0005","7.4294","0.0002","12.3043","0.0004","90","","108.692","0.003","90","","1524.61","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0292","0.0291","","","0.075","0.0751","","","","","","1.188","","","","has coordinates","293772","2024-08-05","18:11:12",""
"1571947","31.4184","0.0009","4.96092","0.00016","21.7474","0.0007","90","","101.804","0.003","90","","3317.96","0.18","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 B2 O4 -","- C18 H18 B2 O4 -","- C144 H144 B16 O32 -","8","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0875","0.0835","","","0.2607","0.263","","","","","","1.151","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571948","11.1367","0.0005","12.0896","0.0006","14.1443","0.0007","66.361","0.005","82.591","0.004","75.387","0.004","1687.31","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","2","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.1009","0.1022","","","","","","1.075","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571949","8.0674","0.0003","10.0413","0.0005","11.4509","0.0005","90.265","0.004","105.787","0.004","106.88","0.004","850.63","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C38 H38 Br2 O6 -","2","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0242","0.0234","","","0.0612","0.0617","","","","","","1.06","","","","has coordinates","293772","2024-08-05","18:11:12",""
"1571950","18.6576","0.0009","11.7041","0.0005","10.0865","0.0003","90","","102.695","0.004","90","","2148.75","0.16","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0934","0.0584","","","0.1526","0.2029","","","","","","1.133","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571951","18.025","0.004","7.2972","0.0018","22.077","0.007","90","","112.088","0.006","90","","2690.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu F10 P -","- C28 H20 Cu F10 P -","- C112 H80 Cu4 F40 P4 -","4","0.5","","Dong, Tao; Shen, Qilong; Tsui, Gavin Chit","Synthesis and application of well-defined [Ph<sub>4</sub>P]<sup>+</sup>[Cu(CF<sub>2</sub>CF<sub>3</sub>)<sub>2</sub>]<sup>-</sup> complex as a versatile pentafluoroethylating reagent.","Chemical science","2024","15","29","11550","11556","10.1039/d4sc02075h","","","0.71073","MoKα","","0.1435","0.0898","","","0.2473","0.2839","","","","","","1.069","","","","has coordinates,has disorder","293738","2024-08-05","17:56:28",""
"1571955","9.1681","0.0002","10.7295","0.0004","13.7336","0.0005","88.378","0.001","77.454","0.001","74.948","0.001","1272.89","0.07","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Bu4N,(pzdt)AuCl2","tetrabutylammonium, (pyrazinedithiolate)dichloroaurate","","- C20 H38 Au Cl2 N3 S2 -","- C20 H38 Au Cl2 N3 S2 -","- C40 H76 Au2 Cl4 N6 S4 -","2","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0234","0.022","","","0.0559","0.0568","","","","","","1.018","","","","has coordinates","293731","2024-08-05","17:53:26",""
"1571956","7.5222","0.0006","7.5384","0.0006","13.3073","0.0013","94.405","0.003","97.176","0.003","94.089","0.003","743.97","0.11","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[Au(bdt)(Et-thiazdt)]","(Benzene-1,2-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)gold","","- C11 H9 Au N S6 -","- C11 H9 Au N S6 -","- C22 H18 Au2 N2 S12 -","2","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0198","0.0187","","","0.046","0.0467","","","","","","0.91","","","","has coordinates","293731","2024-08-05","17:53:28",""
"1571957","9.5242","0.0011","22.193","0.003","16.2006","0.0017","90","","105.821","0.004","90","","3294.6","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","(Bu4N)[Au(bdt)(Et-thiazdt)]","Tetrabutylammonium,(benzene-1,2-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)aurate","","- C27 H45 Au N2 S6 -","- C27 H45 Au N2 S6 -","- C108 H180 Au4 N8 S24 -","4","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0639","0.0451","","","0.1311","0.1463","","","","","","1.005","","","","has coordinates","293731","2024-08-05","17:53:28",""
"1571958","16.4609","0.0017","19.7757","0.0018","18.6188","0.0019","90","","90","","90","","6060.9","1","150","2","150","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","(Bu4N)[Au(bdt)2]","Tetrabutylammonium,bis(benzene-1,2-dithiolate)aurate","","- C28 H44 Au N S4 -","- C28 H44 Au N S4 -","- C224 H352 Au8 N8 S32 -","8","2","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0187","0.0162","","","0.0388","0.0402","","","","","","0.872","","","","has coordinates","293731","2024-08-05","17:53:28",""
"1571959","20.4897","0.0019","12.2891","0.0013","26.698","0.002","90","","107.327","0.004","90","","6417.5","1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","(Bu4N)[Au(pzdt)(Et-thiazdt)]","Tetrabutylammonium,(pyrazine-2,3-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)aurate","","- C25 H43 Au N4 S6 -","- C25 H43 Au N4 S6 -","- C200 H344 Au8 N32 S48 -","8","2","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0318","0.0238","","","0.0494","0.0519","","","","","","1.05","","","","has coordinates,has disorder","293731","2024-08-05","17:53:28",""
"1571960","22.4426","0.0012","20.9039","0.001","30.0536","0.001","90","","96.666","0.004","90","","14004","1.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1AFC-An","","- C133 H115 N6 O12 -","- C133 H115 N6 O12 -","- C532 H460 N24 O48 -","4","1","","Williams, Malik L.; Coleman, Adam F.; Peinkofer, Kathryn R.; Young, Ryan M.; Wasielewski, Michael R.","Structure-enabled long-lived charge separation in single crystals of an asymmetric donor-acceptor perylenediimide cyclophane.","Chemical science","2024","15","29","11472","11479","10.1039/d4sc03359k","","x-ray","1.54184","CuKα","","0.1341","0.1055","","","0.3262","0.3502","","","","","","1.302","","","","has coordinates,has disorder","293739","2024-08-05","17:56:48",""
"1571961","15.0671","0.0003","13.6045","0.0003","46.194","0.0009","90","","90.107","0.002","90","","9468.8","0.3","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C112 H124 N8 -","- C112 H124 N8 -","- C448 H496 N32 -","4","0.5","","Zhao, Lingli; Wu, Zeng; Qin, Hanwen; Bin, Guangxiong; Gao, Junxiang; Zeng, Weixuan; Zhao, Yan; Chen, Huajie","Ambipolar conjugated ladder polymers by room-temperature Knoevenagel polymerization.","Chemical science","2024","15","29","11594","11603","10.1039/d4sc03222e","","x-ray","1.54184","CuKα","","0.1523","0.1186","","","0.3478","0.3787","","","","","","1.448","","","","has coordinates,has disorder","293741","2024-08-05","17:57:31",""
"1571962","7.0682","0.0006","8.2714","0.0007","18.0737","0.0016","93.27","0.004","99.19","0.004","90.759","0.004","1041.13","0.16","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O6 S -","- C21 H25 N O6 S -","- C42 H50 N2 O12 S2 -","2","1","","Lai, Jingxiong; Cai, Wei; Huang, You","Enantioselective phosphine-catalyzed [6 + 1] annulations of α-allyl allenoates with 1,1-bisnucleophiles.","Chemical science","2024","15","29","11515","11520","10.1039/d4sc02487g","","x-ray","1.34139","GaKα","","0.0709","0.0627","","","0.1597","0.1655","","","","","","1.08","","","","has coordinates","293727","2024-08-05","17:52:13",""
"1571965","9.0199","0.0004","9.6664","0.0005","12.1317","0.0005","80.233","0.004","78.91","0.004","79.201","0.004","1009.79","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","CXQ-220602-2","","- C21 H18 Br F7 N2 -","- C21 H18 Br F7 N2 -","- C42 H36 Br2 F14 N4 -","2","1","","Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang","Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.","Chemical science","2024","15","30","12026","12035","10.1039/d4sc03230f","","x-ray","1.54184","CuKα","","0.0271","0.026","","","0.0653","0.0662","","","","","","1.045","","","","has coordinates","293766","2024-08-05","18:07:37",""
"1571966","10.8721","0.0003","42.5797","0.0009","10.9151","0.0003","90","","118.699","0.004","90","","4432.2","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 F7 N2 O -","- C25 H15 F7 N2 O -","- C200 H120 F56 N16 O8 -","8","2","","Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang","Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.","Chemical science","2024","15","30","12026","12035","10.1039/d4sc03230f","","x-ray","1.54184","CuKα","","0.1053","0.0938","","","0.2539","0.2686","","","","","","1.08","","","","has coordinates,has disorder","293766","2024-08-05","18:07:38",""
"1571967","18.8892","0.0005","5.716","0.0001","27.6517","0.0007","90","","107.953","0.003","90","","2840.2","0.12","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C29 H25 F7 N2 O4 S2 -","- C29 H25 F7 N2 O4 S2 -","- C116 H100 F28 N8 O16 S8 -","4","2","","Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang","Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.","Chemical science","2024","15","30","12026","12035","10.1039/d4sc03230f","","x-ray","1.54184","CuKα","","0.0679","0.0538","","","0.1347","0.1506","","","","","","1.037","","","","has coordinates","293766","2024-08-05","18:07:38",""
"1571968","10.0809","0.0006","20.01","0.0011","25.3574","0.0012","101.231","0.005","99.701","0.005","104.279","0.005","4734.3","0.5","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C107 H90 Fe6 O16 P6 -","- C107 H90 Fe6 O16 P6 -","- C214 H180 Fe12 O32 P12 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.1148","0.0842","","","0.2349","0.2546","","","","","","1.109","","","","has coordinates,has disorder","293740","2024-08-05","17:57:14",""
"1571969","12.9515","0.0003","13.3229","0.0003","19.7999","0.0003","107.235","0.002","91.498","0.002","117.671","0.002","2835.23","0.13","100.02","0.12","100.02","0.12","","","","","","","","6","P -1","-P 1","2","","9","","- C61.42 H48.26 Fe4 N0.42 O12.58 P3 -","- C61.422 H48.266 Fe4 N0.422 O12.578 P3 -","- C122.844 H96.532 Fe8 N0.844 O25.156 P6 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0432","0.0382","","","0.0912","0.0935","","","","","","1.06","","","","has coordinates,has disorder","293740","2024-08-05","17:57:16",""
"1571970","9.5978","0.0002","11.8597","0.0002","14.5875","0.0003","90","","90.663","0.002","90","","1660.34","0.06","100","0.8","100","0.8","","","","","","","","5","P 1 n 1","P -2yac","7","","Fe5(mu5-C)(CO)14(PPh3)","","- C33 H15 Fe5 O14 P -","- C33 H15 Fe5 O14 P -","- C66 H30 Fe10 O28 P2 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0427","0.041","","","0.1174","0.1226","","","","","","1.137","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571971","12.2212","0.0001","19.7064","0.0001","19.6407","0.0002","90","","98.708","0.001","90","","4675.66","0.07","100","0.4","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10","","- C52.5 H43 Fe3 O7 P3 -","- C52.5 H43 Fe3 O7 P3 -","- C210 H172 Fe12 O28 P12 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","","1.54184","CuKα","","0.0303","0.0286","","","0.0729","0.0738","","","","","","1.075","","","","has coordinates,has disorder","293740","2024-08-05","17:57:16",""
"1571972","16.9478","0.0003","8.9623","0.0001","17.1515","0.0003","90","","115.433","0.002","90","","2352.69","0.08","100","0.13","100.15","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Fe6C(CO)17","","- C36 Fe12 O34 -","- C36 Fe12 O34 -","- C72 Fe24 O68 -","2","0.5","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","","1.54184","CuKα","","0.0416","0.0345","","","0.0867","0.091","","","","","","1.059","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571973","10.2347","0.0003","24.946","0.0006","19.6152","0.0006","90","","104.582","0.003","90","","4846.7","0.2","100.02","0.12","100.02","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H39 Fe4 O10 P3 -","- C52 H39 Fe4 O10 P3 -","- C208 H156 Fe16 O40 P12 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.1209","0.0804","","","0.2005","0.2307","","","","","","1.044","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571974","12.61041","0.00012","15.93666","0.00013","21.466","0.0002","90","","94.554","0.0008","90","","4300.36","0.07","100.15","","100.02","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Fe3.5 N O10.5 P2 -","- C45 H33 Fe3.5 N O10.5 P2 -","- C180 H132 Fe14 N4 O42 P8 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0413","0.0376","","","0.08","0.0815","","","","","","1.099","","","","has coordinates,has disorder","293740","2024-08-05","17:57:16",""
"1571975","9.4782","0.0008","15.6679","0.0007","18.694","0.001","85.773","0.005","76.692","0.007","89.678","0.005","2694","0.3","100","0.6","100","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C56 H39 Fe5 O14 P3 -","- C56 H39 Fe5 O14 P3 -","- C112 H78 Fe10 O28 P6 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0943","0.0693","","","0.1823","0.198","","","","","","1.066","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571976","17.1733","0.0003","12.1213","0.0002","20.6329","0.0003","90","","103.279","0.0016","90","","4180.16","0.12","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[NEt4][Fe5(mu5-C)(CO)13(PPh3)]","","- C40 H36 Fe5 N O13 P -","- C40 H36 Fe5 N O13 P -","- C160 H144 Fe20 N4 O52 P4 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0484","0.0459","","","0.1375","0.1401","","","","","","1.137","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571977","12.7533","0.0003","12.7583","0.0003","13.1803","0.0003","69.875","0.002","64.408","0.002","68.367","0.002","1753.7","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 I4 Mo8 N2 O28 -","- C54 H54 I4 Mo8 N2 O28 -","- C54 H54 I4 Mo8 N2 O28 -","1","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","x-ray","0.71073","MoKα","","0.0417","0.0304","","","0.074","0.078","","","","","","1.04","","","","has coordinates,has disorder","294481","2024-09-05","23:54:46",""
"1571978","15.9198","0.0003","19.5787","0.0004","14.946","0.0003","90","","98.52","0.002","90","","4607.09","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H118 I2 Mo8 N2 O27 -","- C68 H118 I2 Mo8 N2 O27 -","- C136 H236 I4 Mo16 N4 O54 -","2","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","x-ray","0.71073","MoKα","","0.0343","0.0273","","","0.0741","0.0767","","","","","","1.058","","","","has coordinates","294481","2024-09-05","23:54:47",""
"1571979","13.9442","0.0004","14.7482","0.0004","14.7605","0.0004","61.08","0.001","81.734","0.001","65.704","0.001","2415.85","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79.8 H106.2 I4 Mo8 N2.6 O28.6 -","- C79.8 H102 I4 Mo8 N2.6 O28.6 -","- C79.8 H102 I4 Mo8 N2.6 O28.6 -","1","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","","0.71073","MoKα","","0.0296","0.0259","","","0.0636","0.0654","","","","","","1.042","","","","has coordinates,has disorder","294481","2024-09-05","23:54:47",""
"1571980","13.0495","0.0003","14.4726","0.0003","20.8666","0.0005","100.464","0.001","98.6","0.001","115.289","0.001","3387.69","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 I4 Mo8 O28 S2 -","- C52 H52 I4 Mo8 O28 S2 -","- C104 H104 I8 Mo16 O56 S4 -","2","1","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","","0.71073","MoKα","","0.0401","0.0306","","","0.0694","0.072","","","","","","1.065","","","","has coordinates,has disorder","294481","2024-09-05","23:54:47",""
"1571981","15.7278","0.0003","16.3027","0.0003","18.7455","0.0003","90","","110.566","0.001","90","","4500.13","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H108 I2 Mo8 N2 O26 -","- C64 H108 I2 Mo8 N2 O26 -","- C128 H216 I4 Mo16 N4 O52 -","2","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","","0.71073","MoKα","","0.0311","0.0225","","","0.0464","0.0479","","","","","","1.05","","","","has coordinates","294481","2024-09-05","23:54:47",""
"1571982","15.3967","0.0002","23.3887","0.0002","27.0694","0.0003","90.746","0.001","91.737","0.001","91.33","0.001","9739.91","0.19","100.03","0.1","100.03","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C92 H72 Au4 F12 N2 O10 P4 S4 -","- C92 H72 Au4 F12 N2 O10 P4 S4 -","- C368 H288 Au16 F48 N8 O40 P16 S16 -","4","2","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","x-ray","1.54184","CuKα","","0.0994","0.0929","","","0.2487","0.2556","","","","","","1.067","","","","has coordinates","293736","2024-08-05","17:55:51",""
"1571983","29.4994","0.0003","19.4956","0.0002","33.2461","0.0003","90","","100.747","0.001","90","","18784.8","0.3","173","0.1","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C194 H170 Au11 F18 N3 O16 P6 S6 -","- C178 H130 Au11 F18 N3 O12 P6 S6 -","- C712 H520 Au44 F72 N12 O48 P24 S24 -","4","0.5","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","","1.54184","CuKα","","0.0365","0.0342","","","0.0866","0.0885","","","","","","1.028","","","","has coordinates","293736","2024-08-05","17:55:51",""
"1571984","47.3293","0.0007","20.0353","0.0005","41.2327","0.0006","90","","114.081","0.002","90","","35696.4","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C276 H216 Au28 P8 -","- C276 H216 Au28 P8 -","- C1104 H864 Au112 P32 -","4","0.5","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","x-ray","1.54184","CuKα","","0.0753","0.0591","","","0.1678","0.1809","","","","","","1.06","","","","has coordinates","293736","2024-08-05","17:55:51",""
"1571985","16.052","0.0004","18.4672","0.0005","33.1755","0.0008","84.197","0.002","78.827","0.002","76.291","0.002","9357.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C190 H135 Au14 F12 N2 O8 P5 S4 -","- C190 H135 Au14 F12 N2 O8 P5 S4 -","- C380 H270 Au28 F24 N4 O16 P10 S8 -","2","1","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","","1.54184","CuKα","","0.0829","0.0657","","","0.1737","0.1842","","","","","","1.037","","","","has coordinates,has disorder","293736","2024-08-05","17:55:51",""
"1571986","20.0772","0.0002","15.05708","0.00015","30.2204","0.0003","90","","93.6657","0.0009","90","","9117.06","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H133 Mg4 N10 O1.5 -","- C92 H133 Mg4 N10 O1.5 -","- C368 H532 Mg16 N40 O6 -","4","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0614","0.0454","","","0.1173","0.1316","","","","","","1.031","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571987","17.9825","0.0006","12.3081","0.0004","14.6715","0.0004","90","","95.56","0.003","90","","3231.97","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H46 Al N3 O -","- C33 H40 Al N3 O -","- C132 H160 Al4 N12 O4 -","4","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0796","0.0526","","","0.1266","0.1418","","","","","","0.971","","","","has coordinates","293771","2024-08-05","18:10:45",""
"1571988","15.6944","0.00018","30.4384","0.0003","17.51319","0.00016","90","","90","","90","","8366.27","0.15","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C82 H118 Mg4 N12 -","- C82 H118 Mg4 N12 -","- C328 H472 Mg16 N48 -","4","0.5","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0464","0.0371","","","0.0982","0.1056","","","","","","1.043","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571989","9.2215","0.0003","11.1028","0.0004","27.4961","0.0007","80.246","0.003","84.648","0.003","67.366","0.003","2559.57","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H75 Mg2 N5 O3 -","- C52 H75 Mg2 N5 O3 -","- C104 H150 Mg4 N10 O6 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0757","0.0513","","","0.1348","0.1512","","","","","","1.035","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571990","12.2454","0.0003","14.1302","0.0004","20.6959","0.0005","78.593","0.002","85.703","0.002","73.328","0.003","3362.08","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H103 Mg2 N5 O -","- C71 H103 Mg2 N5 O -","- C142 H206 Mg4 N10 O2 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0791","0.0523","","","0.1345","0.1544","","","","","","1.021","","","","has coordinates","293771","2024-08-05","18:10:45",""
"1571991","23.1551","0.0002","13.13534","0.00012","33.9649","0.0004","90","","93.0767","0.0009","90","","10315.5","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H158 Mg4 N10 O6 -","- C104 H158 Mg4 N10 O6 -","- C416 H632 Mg16 N40 O24 -","4","0.5","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0738","0.0597","","","0.1694","0.1843","","","","","","1.029","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571992","21.911","0.003","23.503","0.003","30.979","0.004","104.882","0.004","94.518","0.004","92.303","0.004","15340","4","150","","150","","","","","","","","","8","P -1","-P 1","2","","Ag38-Zn","","- C216 H367 Ag38 N46 O75 Si W9 Zn4 -","- C136 H207 Ag38 N6 O55 Si W9 Zn4 -","- C272 H414 Ag76 N12 O110 Si2 W18 Zn8 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1041","0.0797","","","0.2019","0.2262","","","","","","1.017","","","","has coordinates","294478","2024-09-05","23:53:48",""
"1571993","20.3864","0.0015","21.2135","0.0017","31.864","0.002","96.159","0.002","92.5","0.002","105.258","0.002","13180.5","1.7","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C124 H189 Ag36 Co5 N6 O81 Si2 W20 -","- C112 H169 Ag36 Co5 O80 Si2 W20 -","- C224 H338 Ag72 Co10 O160 Si4 W40 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.0823","0.0671","","","0.1692","0.1809","","","","","","1.063","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571994","21.95","0.02","23.43","0.02","30.98","0.03","105.088","0.014","94.144","0.013","92.363","0.014","15313","2","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C176 H426 Ag38 Co4 N26 O135 Si W9 -","- C136 H206 Ag38 Co4 N6 O55 Si W9 -","- C272 H412 Ag76 Co8 N12 O110 Si2 W18 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1316","0.0997","","","0.2225","0.2444","","","","","","1.018","","","","has coordinates","294478","2024-09-05","23:53:49",""
"1571995","20.495","0.003","23.774","0.003","31.972","0.004","91.397","0.004","95.125","0.004","110.459","0.004","14511","3","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C146 H398 Ag36 N20 Ni5 O168 Si2 W20 -","- C106 H159 Ag36 Ni5 O80 Si2 W20 -","- C212 H318 Ag72 Ni10 O160 Si4 W40 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1135","0.0984","","","0.2608","0.2765","","","","","","1.015","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571996","21.433","0.002","25.176","0.002","27.986","0.002","76.713","0.003","81.315","0.002","83.548","0.003","14481","2","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C204 H309 Ag37 N35 O83 Si2 W20 Zn5 -","- C144 H219 Ag37 N5 O83 Si2 W20 Zn5 -","- C288 H438 Ag74 N10 O166 Si4 W40 Zn10 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1118","0.0862","","","0.1773","0.1937","","","","","","1.04","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571997","24.0994","0.0019","38.699","0.003","39.795","0.003","90","","124.23","0.004","90","","30685","4","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C248 H382 Ag74.65 N10 O174 Si4 W40 Zn10 -","- C236 H360 Ag74.65 N4 O172 Si4 W40 Zn10 -","- C472 H720 Ag149.3 N8 O344 Si8 W80 Zn20 -","2","0.5","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1289","0.1154","","","0.3549","0.3691","","","","","","1.551","","","","has coordinates","294478","2024-09-05","23:53:49",""
"1571998","21.941","0.003","23.391","0.004","30.897","0.005","105.433","0.004","94.447","0.004","91.978","0.004","15214","4","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C256 H407 Ag38 N66 Ni4 O65 Si W9 -","- C136 H207 Ag38 N6 Ni4 O55 Si W9 -","- C272 H414 Ag76 N12 Ni8 O110 Si2 W18 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1237","0.0936","","","0.2318","0.2526","","","","","","1.04","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571999","17.1992","0.0013","29.767","0.003","21.8387","0.0018","90","","90","","90","","11180.7","1.7","150.15","0.1","150.15","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","NPU-1-TPT","","- C66 H45 Mn6 N12 O20 -","- C66 H45 Mn6 N12 O20 -","- C264 H180 Mn24 N48 O80 -","4","0.5","","Cao, Jian-Wei; Zhang, Tao; Chen, Juan; Wang, Jin-Bo; Wang, Yu; Chen, Kai-Jie","Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.","Chemical science","2024","15","30","11928","11936","10.1039/d4sc02550d","","x-ray","1.34139","GaKα","","0.0813","0.0807","","","0.2077","0.2085","","","","","","1.052","","","","has coordinates,has disorder","293777","2024-08-05","18:12:33",""
"1572000","17.1984","0.0007","17.1984","0.0007","18.6767","0.001","90","","90","","120","","4784.2","0.4","198.15","0.1","198.15","0.1","","","","","","","","5","P -6 m 2","P -6 2","187","","NPU-6","","- C108 H69 Mn9 N18 O33 -","- C108 H69 Mn9 N18 O33 -","- C108 H69 Mn9 N18 O33 -","1","0.0833333","","Cao, Jian-Wei; Zhang, Tao; Chen, Juan; Wang, Jin-Bo; Wang, Yu; Chen, Kai-Jie","Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.","Chemical science","2024","15","30","11928","11936","10.1039/d4sc02550d","","","0.71073","MoKα","","0.0349","0.0294","","","0.0709","0.0735","","","","","","0.98","","","","has coordinates,has disorder","293777","2024-08-05","18:12:33",""
"1572001","21.8333","0.0004","21.8629","0.0003","30.2029","0.0006","87.8618","0.0014","77.0258","0.0015","82.1629","0.0014","13917.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C156 H266 N60 O80 Pd8 -","- C156 H202 N44 Pd8 -","- C312 H404 N88 Pd16 -","2","1","","Prajapati, Dharmraj; Clegg, Jack K.; Mukherjee, Partha Sarathi","Formation of a low-symmetry Pd<sub>8</sub> molecular barrel employing a hetero donor tetradentate ligand, and its use in the binding and extraction of C<sub>70</sub>.","Chemical science","2024","15","31","12502","12510","10.1039/d4sc01332h","","x-ray","0.71073","MoKα","","0.1302","0.0979","","","0.2843","0.3153","","","","","","1.037","","","","has coordinates","294483","2024-09-05","23:55:25",""
"1572002","13.3731","0.0008","14.0167","0.0007","17.049","0.0007","90","","103.604","0.005","90","","3106.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pentyl complex","","- C60 H76 B2 F8 N12 O4 Pt -","- C60 H76 B2 F8 N12 O4 Pt -","- C120 H152 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","","0.71073","MoKα","","0.0558","0.0292","","","0.0504","0.0567","","","","","","1.004","","","","has coordinates","293730","2024-08-05","17:53:06",""
"1572003","11.013","0.002","13.708","0.003","14.075","0.003","114.46","0.03","99.2","0.03","104.7","0.03","1784.1","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H100 B2 F8 N12 O4 Pt -","- C72 H100 B2 F8 N12 O4 Pt -","- C72 H100 B2 F8 N12 O4 Pt -","1","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","","0.71073","synchrotron","","0.0283","0.0283","","","0.0727","0.0728","","","","","","1.1","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572004","11.4301","0.0013","19.803","0.0014","11.257","0.0009","90","","103.529","0.01","90","","2477.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ethyl platinum complex","","- C48 H52 B2 F8 N12 O4 Pt -","- C48 H52 B2 F8 N12 O4 Pt -","- C96 H104 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","x-ray","0.71073","MoKα","","0.097","0.054","","","0.1139","0.1342","","","","","","1.003","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572005","13.203","0.003","14.387","0.003","17.238","0.004","90","","93.431","0.006","90","","3268.5","1.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Hexyl complex","","- C64 H84 B2 F8 N12 O4 Pt -","- C64 H84 B2 F8 N12 O4 Pt -","- C128 H168 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","","0.71073","MoKα","","0.0318","0.0242","","","0.056","0.0594","","","","","","1.074","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572006","12.1096","0.0012","19.8229","0.0013","11.4298","0.0012","90","","106.062","0.011","90","","2636.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 B2 F8 N12 O4 Pt -","- C52 H60 B2 F8 N12 O4 Pt -","- C104 H120 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","x-ray","0.71073","MoKα","","0.1254","0.066","","","0.1315","0.1601","","","","","","0.989","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572007","5.4401","0.0002","9.123","0.0003","17.9486","0.0006","101.504","0.003","95.881","0.002","94.474","0.002","863.86","0.05","193","","193","","","","","","","","","2","P -1","-P 1","2","","","","- C46 H50 -","- C46 H50 -","- C46 H50 -","1","0.5","","Guo, Jianwen; Du, Fangxin; Yu, Bo; Du, Pengcheng; Li, Haoyuan; Zhang, Jianhua; Xin, Hanshen","Heptacyclic aromatic hydrocarbon isomers with two azulene units fused.","Chemical science","2024","15","31","12589","12597","10.1039/d4sc02566k","","","1.54178","CuKα","","0.0631","0.0479","","","0.1288","0.1381","","","","","","1.051","","","","has coordinates","294479","2024-09-05","23:54:08",""
"1572008","18.908","0.004","5.7056","0.0012","19.221","0.004","90","","115.935","0.003","90","","1864.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","A","","- C27 H17 N O -","- C27 H17 N O -","- C108 H68 N4 O4 -","4","1","","Lee, Yunjeong; Jhun, Byung Hak; Woo, Sihyun; Kim, Seoyeon; Bae, Jaehan; You, Youngmin; Cho, Eun Jin","Charge-recombinative triplet sensitization of alkenes for DeMayo-type [2 + 2] cycloaddition.","Chemical science","2024","15","30","12058","12066","10.1039/d4sc02601b","","","0.71073","MoKα","","0.2695","0.2381","","","0.2681","0.2947","","","","","","1.699","","","","has coordinates","293764","2024-08-05","18:07:05",""
"1572009","10.4813","0.0016","10.5048","0.0016","13.991","0.002","97.915","0.006","92.615","0.006","118.101","0.006","1335.1","0.4","298","","298","","","","","","","","","4","P 1","P 1","1","","","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C48 H66 N6 O14 -","2","2","","Wang, Xia; Wang, Shao-Jie; Xin, Xiaolan; An, Hao; Tu, Zhifeng; Yang, Hui; Wong, Ming Wah; Lu, Shenci","Enantioconvergent and diastereoselective synthesis of atropisomeric hydrazides bearing a cyclic quaternary stereocenter through ternary catalysis.","Chemical science","2024","15","33","13240","13249","10.1039/d4sc03190c","","","1.34139","GaKα","","0.0777","0.0527","","","0.145","0.1627","","","","","","1.002","","","","has coordinates","294475","2024-09-05","23:49:20",""
"1572010","15.78147","0.00011","14.09396","0.00013","16.78114","0.00012","90","","98.9652","0.0007","90","","3686.92","0.05","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N4 O11 -","- C36 H42 N4 O11 -","- C144 H168 N16 O44 -","4","1","","Wang, Xia; Wang, Shao-Jie; Xin, Xiaolan; An, Hao; Tu, Zhifeng; Yang, Hui; Wong, Ming Wah; Lu, Shenci","Enantioconvergent and diastereoselective synthesis of atropisomeric hydrazides bearing a cyclic quaternary stereocenter through ternary catalysis.","Chemical science","2024","15","33","13240","13249","10.1039/d4sc03190c","","","1.54184","CuKα","","0.0522","0.0489","","","0.135","0.1379","","","","","","1.059","","","","has coordinates","294475","2024-09-05","23:49:21",""
"1572011","22.6325","0.0011","22.6325","0.0011","30.888","0.002","90","","90","","120","","13702","1.3","223","2","223","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C150 H162 Cl48 N18 O57 Pd3 S15 -","- C150 H162 Cl48 N18 O57 Pd3 S15 -","- C300 H324 Cl96 N36 O114 Pd6 S30 -","2","0.333333","","Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar","A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.","Chemical science","2024","15","29","11287","11301","10.1039/d4sc01078g","","","0.71073","MoKα","","0.1189","0.0847","","","0.2277","0.2781","","","","","","1.04","","","","has coordinates,has disorder","293729","2024-08-05","17:52:52",""
"1572012","40.82","0.06","40.82","0.06","24.82","0.04","90","","90","","90","","41357","11","100","2","100","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C224 H168 N29 O83 Pd5 S6 -","- C224 H168 N29 O83 Pd5 S6 -","- C896 H672 N116 O332 Pd20 S24 -","4","0.5","","Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar","A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.","Chemical science","2024","15","29","11287","11301","10.1039/d4sc01078g","","","0.71073","MoKα","","0.1436","0.1068","","","0.2758","0.3308","","","","","","1.334","","","","has coordinates","293729","2024-08-05","17:52:53",""
"1572013","18.26","0.02","21.68","0.02","30.26","0.04","106.49","0.06","91.26","0.07","105.9","0.04","10982","2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H128 N24 O62 Pd4 S6 -","- C148 H128 N24 O62 Pd4 S6 -","- C296 H256 N48 O124 Pd8 S12 -","2","1","","Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar","A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.","Chemical science","2024","15","29","11287","11301","10.1039/d4sc01078g","","","0.71073","MoKα","","0.177","0.1007","","","0.2463","0.2999","","","","","","1.036","","","","has coordinates","293729","2024-08-05","17:52:53",""
"1572014","6.0332","0.0001","11.399","0.0003","17.7451","0.0003","84.659","0.002","88.405","0.002","83.737","0.002","1207.63","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 N O3 Si -","- C26 H35 N O3 Si -","- C52 H70 N2 O6 Si2 -","2","1","","Bao, Ming; Bohórquez, Arnold R Romero; Arman, Hadi; Doyle, Michael P.","Photoinduced [4 + 2]-cycloaddition reactions of vinyldiazo compounds for the construction of heterocyclic and bicyclic rings.","Chemical science","2024","15","30","12042","12046","10.1039/d4sc03558e","","x-ray","1.54184","CuKα","","0.0371","0.0341","","","0.09","0.0924","","","","","","0.992","","","","has coordinates","293767","2024-08-05","18:07:54",""
"1572015","14.0714","0.0002","14.8588","0.0002","16.3784","0.0002","90.572","0.001","92.785","0.001","107.376","0.001","3263.25","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 N3 O4 Si -","- C35 H41 N3 O4 Si -","- C140 H164 N12 O16 Si4 -","4","2","","Bao, Ming; Bohórquez, Arnold R Romero; Arman, Hadi; Doyle, Michael P.","Photoinduced [4 + 2]-cycloaddition reactions of vinyldiazo compounds for the construction of heterocyclic and bicyclic rings.","Chemical science","2024","15","30","12042","12046","10.1039/d4sc03558e","","x-ray","1.54184","CuKα","","0.0737","0.0669","","","0.1395","0.1432","","","","","","1.002","","","","has coordinates","293767","2024-08-05","18:07:55",""
"1572016","16.0957","0.0002","11.6873","0.0001","20.2429","0.0002","90","","90","","90","","3808","0.07","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H20 F10 P Sb -","- C13 H20 F10 P Sb -","- C104 H160 F80 P8 Sb8 -","8","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0337","0.0272","","","0.0589","0.0616","","","","","","1.031","","","","has coordinates,has disorder","293769","2024-08-05","18:09:47",""
"1572017","8.6271","0.0006","11.2928","0.0009","12.0061","0.001","74.243","0.007","74.812","0.007","70.602","0.007","1042.64","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 F10 P S2 Sb -","- C14 H20 F10 P S2 Sb -","- C28 H40 F20 P2 S4 Sb2 -","2","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0315","0.0292","","","0.0696","0.0723","","","","","","1.069","","","","has coordinates","293769","2024-08-05","18:09:48",""
"1572018","17.0497","0.0005","11.9276","0.0003","20.3495","0.0006","90","","90","","90","","4138.3","0.2","100","0.11","100","0.11","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H20 F10 O2 P S Sb -","- C13 H20 F10 O2 P S Sb -","- C104 H160 F80 O16 P8 S8 Sb8 -","8","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0453","0.032","","","0.0699","0.0751","","","","","","1.076","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572019","15.3875","0.0002","11.5169","0.0001","14.6407","0.0002","90","","106.704","0.001","90","","2485.09","0.05","100.01","0.13","100.01","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 F10 N O P Sb -","- C20 H25 F10 N O P Sb -","- C80 H100 F40 N4 O4 P4 Sb4 -","4","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0337","0.0287","","","0.0709","0.0739","","","","","","1.108","","","","has coordinates","293769","2024-08-05","18:09:48",""
"1572020","9.9191","0.0002","16.6017","0.0003","17.2503","0.0003","64.175","0.002","85.392","0.001","85.358","0.001","2545.37","0.09","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 F10 N P S Sb -","- C20 H25 F10 N P S Sb -","- C80 H100 F40 N4 P4 S4 Sb4 -","4","2","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0454","0.03","","","0.0622","0.068","","","","","","1.035","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572021","8.8715","0.0002","10.8958","0.0002","21.7596","0.0004","77.654","0.002","85.919","0.001","80.909","0.002","2027.35","0.07","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 Au Cl F20 P2 Sb2 -","- C26 H40 Au Cl F20 P2 Sb2 -","- C52 H80 Au2 Cl2 F40 P4 Sb4 -","2","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0357","0.0303","","","0.0595","0.0614","","","","","","1.086","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572022","11.728","0.0002","18.5033","0.0003","19.9201","0.0003","90","","90","","90","","4322.8","0.12","100.01","0.13","100.01","0.13","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 Au F23 O3 P2 S Sb2 -","- C27 H40 Au F23 O3 P2 S Sb2 -","- C108 H160 Au4 F92 O12 P8 S4 Sb8 -","4","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0298","0.023","","","0.0444","0.0481","","","","","","1.0693","","","","has coordinates","293769","2024-08-05","18:09:48",""
"1572023","14.3389","0.0008","23.8027","0.0013","24.6313","0.0013","90","","90","","90","","8406.8","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H96 Cl2 P4 Rh2 -","- C104 H96 Cl2 P4 Rh2 -","- C416 H384 Cl8 P16 Rh8 -","4","1","","Swann, Noah; Tang, Kiki; Nam, Jihyeon; Lee, Jooyeon; Domin, Marek; Shaw, Thomas E.; Kozimor, Stosh A.; Som, Salina; Lee, Kangsang L.","Intermolecular C-H silylations of arenes and heteroarenes with mono-, bis-, and tris(trimethylsiloxy)hydrosilanes: control of silane redistribution under operationally diverse approaches.","Chemical science","2024","15","30","11912","11918","10.1039/d4sc03394a","","","0.71073","MoKα","","0.0625","0.0434","","","0.0945","0.1035","","","","","","1.019","","","","has coordinates","293774","2024-08-05","18:11:32",""
"1572027","10.6808","0.0004","20.4088","0.0008","20.8267","0.0008","90","","96.752","0.002","90","","4508.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H60 F4 N O3 P3 S -","- C45 H60 F4 N O3 P3 S -","- C180 H240 F16 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0575","0.0408","","","0.1005","0.1094","","","","","","1.026","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572028","10.8554","0.001","11.7203","0.0011","18.4078","0.0016","106.573","0.002","104.787","0.002","94.53","0.003","2141.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H57 F3 N O3 P3 S -","- C44 H57 F3 N O3 P3 S -","- C88 H114 F6 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0823","0.0515","","","0.1183","0.1376","","","","","","1.018","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572029","13.7735","0.0012","14.331","0.0012","16.4614","0.0014","67.221","0.002","80.664","0.003","64.226","0.002","2697.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H77 F3 N O4 P3 S -","- C54 H77 F3 N O4 P3 S -","- C108 H154 F6 N2 O8 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","Mokα","","0.0972","0.0517","","","0.1099","0.1284","","","","","","1.013","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572030","9.5059","0.0005","14.4773","0.0008","21.4699","0.0012","90","","91.586","0.002","90","","2953.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F3 N O3 P3 S -","- C20 H33 F3 N O3 P3 S -","- C80 H132 F12 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","0.71073","MoKα","","0.0507","0.041","","","0.1112","0.1148","","","","","","1.081","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572031","11.5917","0.001","22.103","0.002","13.3286","0.0012","90","","115.243","0.003","90","","3088.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 F3 N O3 P3 S -","- C30 H37 F3 N O3 P3 S -","- C120 H148 F12 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","0.71073","MoKα","","0.1575","0.0852","","","0.1812","0.2095","","","","","","1.064","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572032","14.4906","0.0006","15.0696","0.0007","17.5125","0.0009","69.989","0.002","82.093","0.002","72.732","0.002","3428.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H74 F6 N O3 P3 S -","- C54 H74 F6 N O3 P3 S -","- C108 H148 F12 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","Mokα","","0.0622","0.0501","","","0.1319","0.1416","","","","","","1.02","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572033","11.005","0.002","12.506","0.002","15.198","0.003","113.278","0.006","98.207","0.007","93.456","0.007","1886","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 F3 N O3 P3 S -","- C35 H39 F3 N O3 P3 S -","- C70 H78 F6 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0928","0.0526","","","0.1084","0.1261","","","","","","0.967","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572034","13.0397","0.0005","21.2666","0.0008","18.7063","0.0007","90","","101.217","0.001","90","","5088.4","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H73 F3 N O3 P3 S -","- C48 H73 F3 N O3 P3 S -","- C192 H292 F12 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.111","0.0674","","","0.1632","0.1816","","","","","","1.1","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572035","13.2057","0.0006","14.4979","0.0007","16.1649","0.0008","65.068","0.001","79.103","0.001","64.993","0.001","2543.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H75 F3 N O3 P3 S -","- C53 H75 F3 N O3 P3 S -","- C106 H150 F6 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0613","0.04","","","0.088","0.0979","","","","","","1.012","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572036","13.3026","0.0007","15.258","0.0008","16.3831","0.0008","103.595","0.002","90.873","0.002","109.755","0.002","3025.6","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 N P3 -","- C34 H38 N P3 -","- C136 H152 N4 P12 -","4","2","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.074","0.0502","","","0.1208","0.1333","","","","","","1.035","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572037","13.273","0.004","8.55","0.003","24.63","0.008","90","","97.626","0.004","90","","2770.4","1.6","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C58 H76 O P6 -","- C58 H76 O P6 -","- C116 H152 O2 P12 -","2","0.5","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","0.71073","MoKα","","0.1136","0.0694","","","0.1921","0.2279","","","","","","0.998","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572038","15.6132","0.0009","12.7998","0.0007","26.6995","0.0016","90","","90","","90","","5335.8","0.5","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H36 N P3 -","- C29 H36 N P3 -","- C232 H288 N8 P24 -","8","2","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0601","0.0405","","","0.0833","0.0907","","","","","","1.037","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572039","11.345","0.0008","11.9683","0.0008","15.3035","0.001","80.276","0.002","79.095","0.002","63.1","0.002","1811.4","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N P3 -","- C38 H54 N P3 -","- C76 H108 N2 P6 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0523","0.0363","","","0.1134","0.1289","","","","","","0.93","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572040","16.9451","0.0007","13.2118","0.0006","20.9116","0.001","90","","104.798","0.004","90","","4526.3","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72 N P3 -","- C47 H72 N P3 -","- C188 H288 N4 P12 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","1.54178","CuKα","","0.1001","0.0669","","","0.1526","0.1677","","","","","","1.066","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572041","8.7516","0.0004","11.3824","0.0005","20.2888","0.0011","86.071","0.002","89.119","0.003","79.852","0.002","1984.75","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H56 N P3 -","- C43 H56 N P3 -","- C86 H112 N2 P6 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0507","0.0373","","","0.086","0.0925","","","","","","1.037","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572042","12.984","0.0004","8.7134","0.0003","42.5367","0.0014","90","","98.699","0.003","90","","4757","0.3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 N P3 -","- C52 H74 N P3 -","- C208 H296 N4 P12 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","1.54178","CuKα","","0.0867","0.0596","","","0.1308","0.1455","","","","","","1.042","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572043","7.3017","0.0005","9.9102","0.0007","15.2826","0.0011","91.383","0.002","101.01","0.002","104.534","0.002","1047.75","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H32 N P3 -","- C19 H32 N P3 -","- C38 H64 N2 P6 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0301","0.0268","","","0.0704","0.0723","","","","","","1.032","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572044","8.883","0.0005","10.7359","0.0006","10.9008","0.0006","84.098","0.002","80.59","0.002","65.9","0.001","935.44","0.09","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Guin, Avishek; Deswal, Shiksha; Harariya, Mahesh Singh; Biju, Akkattu T.","Lewis acid-catalyzed diastereoselective formal ene reaction of thioindolinones/thiolactams with bicyclobutanes.","Chemical science","2024","15","31","12473","12479","10.1039/d4sc02194k","","","0.71073","MoKα","","0.0498","0.0377","","","0.096","0.103","","","","","","1.0445","","","","has coordinates","294489","2024-09-05","23:56:40",""
"1572045","10.3425","0.0002","12.0823","0.0002","10.7603","0.0002","90","","111.053","0.002","90","","1254.86","0.04","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N8 O -","- C27 H30 N8 O -","- C54 H60 N16 O2 -","2","1","","Jiang, Yi-Fan; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral nor-heteracalixarenes: design and synthesis <i>via</i> enantioselective intramolecular Suzuki-Miyaura reaction.","Chemical science","2024","15","31","12517","12522","10.1039/d4sc03506b","","x-ray","1.54184","CuKα","","0.0339","0.0324","","","0.0826","0.0835","","","","","","1.034","","","","has coordinates","294487","2024-09-05","23:56:14",""
"1572046","10.1196","0.0001","10.2523","0.0001","15.3641","0.0002","90","","108.435","0.001","90","","1512.21","0.03","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H35 Cl2 N7 O2 -","- C30 H35 Cl2 N7 O2 -","- C60 H70 Cl4 N14 O4 -","2","1","","Jiang, Yi-Fan; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral nor-heteracalixarenes: design and synthesis <i>via</i> enantioselective intramolecular Suzuki-Miyaura reaction.","Chemical science","2024","15","31","12517","12522","10.1039/d4sc03506b","","x-ray","1.54184","CuKα","","0.0494","0.0477","","","0.1276","0.129","","","","","","1.05","","","","has coordinates","294487","2024-09-05","23:56:15",""
"1572047","17.6378","0.0009","4.1739","0.0003","24.0146","0.0011","90","","106.817","0.003","90","","1692.31","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","Hanna, Fergal E.; Root, Alexander J.; Schade, Markus; Hunter, Christopher A.","Negative cooperativity in the formation of H-bond networks involving primary anilines.","Chemical science","2024","15","30","12036","12041","10.1039/d4sc03719g","","","1.54178","CuKα","","0.0823","0.052","","","0.1164","0.1349","","","","","","1.029","","","","has coordinates","293773","2024-08-05","18:11:22",""
"1572050","11.7692","0.0005","12.3869","0.0006","31.3291","0.0012","90","","90","","90","","4567.3","0.3","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H57 B2 N Se -","- C55 H57 B2 N Se -","- C220 H228 B8 N4 Se4 -","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","","","0.71073","MoKα","","0.0824","0.0427","","","0.083","0.0963","","","","","","0.995","","","","has coordinates","292728","2024-07-04","04:38:43",""
"1572051","14.8492","0.0003","15.4702","0.0004","22.7707","0.0006","89.501","0.002","84.631","0.002","86.365","0.0019","5197.4","0.2","173","0.1","173","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4 -","- C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4 -","- C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4 -","1","0.5","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","x-ray","1.54184","CuKα","","0.0505","0.0377","","","0.0891","0.0957","","","","","","1.031","","","","has coordinates","292729","2024-07-04","04:49:25",""
"1572052","22.2403","0.0003","19.9911","0.0002","22.5255","0.0003","90","","94.39","0.001","90","","9985.6","0.2","100.01","0.11","100.01","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H84 Cu4 F12 N4 P6 Pt2 -","- C116 H84 Cu4 F12 N4 P6 Pt2 -","- C464 H336 Cu16 F48 N16 P24 Pt8 -","4","0.5","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","x-ray","1.54184","CuKα","","0.0527","0.0469","","","0.1313","0.135","","","","","","1.09","","","","has coordinates","292729","2024-07-04","04:49:26",""
"1572053","30.1604","0.0008","14.9159","0.0003","25.3705","0.0008","90","","110.963","0.003","90","","10658","0.5","173","0.1","173","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C105 H74 Cl2 Cu4 F24 N4 P6 Pt2 -","- C105 H74 Cl2 Cu4 F24 N4 P6 Pt2 -","- C420 H296 Cl8 Cu16 F96 N16 P24 Pt8 -","4","1","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","","1.54184","CuKα","","0.0948","0.0596","","","0.1366","0.1548","","","","","","1.039","","","","has coordinates,has disorder","292729","2024-07-04","04:49:26",""
"1572054","24.0292","0.0003","23.4432","0.0003","20.9407","0.0003","90","","90.254","0.001","90","","11796.2","0.3","100","0.11","100","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C138 H106 Cu4 F12 N4 P6 Pt2 -","- C138 H108 Cu4 F12 N4 P6 Pt2 -","- C552 H432 Cu16 F48 N16 P24 Pt8 -","4","1","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","x-ray","1.54184","CuKα","","0.0752","0.0584","","","0.1495","0.1577","","","","","","1.021","","","","has coordinates","292729","2024-07-04","04:49:26",""
"1572055","27.8806","0.0011","14.6603","0.0004","29.4612","0.0011","90","","117.331","0.005","90","","10697.7","0.8","173","0.1","173","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C101 H74 Cl2 Cu4 F16 N4 P6 Pt2 -","- C101 H74 Cl2 Cu4 F16 N4 P6 Pt2 -","- C404 H296 Cl8 Cu16 F64 N16 P24 Pt8 -","4","1","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","","1.54184","CuKα","","0.1293","0.0879","","","0.2306","0.255","","","","","","1.064","","","","has coordinates","292729","2024-07-04","04:49:26",""
"1572056","10.2995","0.0004","25.7122","0.0017","12.4585","0.0016","90","","104.672","0.007","90","","3191.7","0.5","290.19","0.1","290.19","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C168 H152 N8 -","4","1","","Zhou, Yu-Qiang; He, Kui-Cheng; Zheng, Wei-Hao; Lv, Jing-Fang; He, Shi-Mei; Yu, Ning; Yang, Yun-Bo; Liu, Lv-Yan; Jiang, Kun; Wei, Ye","1,5-Hydrogen atom transfer of α-iminyl radical cations: a new platform for relay annulation for pyridine derivatives and axially chiral heterobiaryls.","Chemical science","2024","15","20","7502","7514","10.1039/d4sc01858c","","x-ray","1.54184","CuKα","","0.0463","0.0428","","","0.1146","0.1179","","","","","","1.057","","","","has coordinates","292730","2024-07-04","04:50:15",""
"1572057","8.15719","0.00019","11.2106","0.0002","27.1349","0.0006","90","","90","","90","","2481.41","0.09","291.19","0.1","291.19","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C120 H116 N4 O8 -","4","1","","Zhou, Yu-Qiang; He, Kui-Cheng; Zheng, Wei-Hao; Lv, Jing-Fang; He, Shi-Mei; Yu, Ning; Yang, Yun-Bo; Liu, Lv-Yan; Jiang, Kun; Wei, Ye","1,5-Hydrogen atom transfer of α-iminyl radical cations: a new platform for relay annulation for pyridine derivatives and axially chiral heterobiaryls.","Chemical science","2024","15","20","7502","7514","10.1039/d4sc01858c","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1411","0.146","","","","","","1.057","","","","has coordinates","292730","2024-07-04","04:50:15",""
"1572059","20.4511","0.0004","20.4148","0.0004","25.8502","0.0006","90","","96.905","0.001","90","","10714.3","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.75 H27.5 Cl1.5 N4 O2 -","- C28.75 H27.5 Cl1.5 N4 O2 -","- C460 H440 Cl24 N64 O32 -","16","4","","Cheng, Jun; Yang, Liuqing; Wang, Ruiyao; Wisner, James A.; Ding, Zhifeng; Wang, Hong-Bo","Intensified electrochemiluminescence and photoluminescence <i>via</i> supramolecular anion recognition interactions.","Chemical science","2024","15","31","12291","12300","10.1039/d4sc03338h","","","1.54178","CuKα","","0.0718","0.0585","","","0.1557","0.1731","","","","","","1.021","","","","has coordinates,has disorder","294480","2024-09-05","23:54:24",""
"1572071","18.3373","0.0004","6.019","0.0001","24.2331","0.0004","90","","104.751","0.002","90","","2586.51","0.09","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C35 H28 B -","- C35 H28 B -","- C140 H112 B4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.1005","0.0663","","","0.1623","0.1858","","","","","","1.042","","","","has coordinates,has disorder","294490","2024-09-05","23:56:58",""
"1572072","13.2512","0.0002","14.8632","0.0001","14.8307","0.0002","90","","113.055","0.002","90","","2687.68","0.07","100","2","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 B N -","- C35 H30 B N -","- C140 H120 B4 N4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0542","0.0417","","","0.1055","0.1128","","","","","","1.027","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572073","13.6258","0.0001","13.39","0.0002","12.5357","0.0001","90","","98.732","0.001","90","","2260.62","0.04","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H24 B N -","- C31 H24 B N -","- C124 H96 B4 N4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0319","0.0316","","","0.0806","0.0808","","","","","","1.076","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572074","9.9393","0.0002","15.2431","0.0002","16.3736","0.0003","85.65","0.001","86.819","0.002","89.362","0.001","2469.68","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H55 B2 N3 Si -","- C62 H55 B2 N3 Si -","- C124 H110 B4 N6 Si2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0927","0.0833","","","0.2269","0.2381","","","","","","1.041","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572075","12.3326","0.0002","16.072","0.0002","13.3588","0.0002","90","","92.427","0.001","90","","2645.47","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B O P -","- C32 H34 B O P -","- C128 H136 B4 O4 P4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0506","0.044","","","0.1104","0.114","","","","","","1.069","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572076","10.9933","0.0002","12.0387","0.0002","17.7494","0.0003","90","","106.511","0.002","90","","2252.18","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 B O -","- C30 H27 B O -","- C120 H108 B4 O4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0555","0.0431","","","0.1117","0.1189","","","","","","1.044","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572077","10.9399","0.0001","13.5758","0.0002","19.8961","0.0002","90","","104.763","0.001","90","","2857.38","0.06","100","2","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 B N2 -","- C36 H32 B N2 -","- C144 H128 B4 N8 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0485","0.0449","","","0.1147","0.1175","","","","","","1.024","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572078","13.0612","0.0002","11.3209","0.0001","16.7015","0.0002","90","","106.225","0.001","90","","2371.2","0.05","100","2","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 B N Si -","- C29 H28 B N Si -","- C116 H112 B4 N4 Si4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0521","0.0444","","","0.1163","0.1214","","","","","","1.035","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572079","13.4563","0.0001","30.1996","0.0002","11.7809","0.0001","90","","97.829","0.001","90","","4742.84","0.06","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 B2 N3 Si -","- C61 H53 B2 N3 Si -","- C244 H212 B8 N12 Si4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0461","0.0442","","","0.1159","0.1173","","","","","","1.021","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572080","24.7977","0.0011","3.9818","0.0002","24.8783","0.001","90","","97.267","0.004","90","","2436.74","0.19","303.7","0.4","303.7","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 N O S -","- C36 H21 N O S -","- C144 H84 N4 O4 S4 -","4","1","","Huang, Wenbin; Zhu, Yuxin; Xie, Xinwei; Tang, Guanqun; Zhou, Kang; Song, Lijuan; He, Zikai","Utilizing weakly donor-acceptor ternary π-conjugated architecture to achieve single-component white luminescence and stimulus-responsive room-temperature phosphorescence.","Chemical science","2024","15","31","12316","12325","10.1039/d4sc02525c","","x-ray","1.54184","CuKα","","0.1137","0.0537","","","0.1218","0.1524","","","","","","0.923","","","","has coordinates","294488","2024-09-05","23:56:24",""
"1572081","19.1082","0.0012","3.94","0.0002","32.2145","0.0017","90","","90","","90","","2425.3","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H21 N S2 -","- C36 H21 N S2 -","- C144 H84 N4 S8 -","4","1","","Huang, Wenbin; Zhu, Yuxin; Xie, Xinwei; Tang, Guanqun; Zhou, Kang; Song, Lijuan; He, Zikai","Utilizing weakly donor-acceptor ternary π-conjugated architecture to achieve single-component white luminescence and stimulus-responsive room-temperature phosphorescence.","Chemical science","2024","15","31","12316","12325","10.1039/d4sc02525c","","x-ray","1.54184","CuKα","","0.0978","0.0792","","","0.2408","0.273","","","","","","1.133","","","","has coordinates","294488","2024-09-05","23:56:24",""
"1572082","6.187","0.0017","8.034","0.002","65.131","0.017","90","","90","","90","","3237.4","1.5","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 O6 S -","- C38 H36 O6 S -","- C152 H144 O24 S4 -","4","1","","Li, Yantao; Bai, Haonan; Gao, Qi; Liu, Kai; Han, Jie; Li, Weipeng; Zhu, Chengjian; Xie, Jin","Stereoselective benzylic C(sp<sup>3</sup>)-H alkenylation enabled by metallaphotoredox catalysis.","Chemical science","2024","15","31","12511","12516","10.1039/d4sc02830a","","","1.54178","CuKα","","0.0736","0.0516","","","0.1224","0.1354","","","","","","1.053","","","","has coordinates","294485","2024-09-05","23:55:54",""
"1572083","12.9179","0.0003","17.0625","0.0004","17.3348","0.0004","94.909","0.001","97.056","0.001","91.956","0.001","3774.09","0.15","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H82 Cl4 N4 O8 -","- C89 H82 Cl4 N4 O8 -","- C178 H164 Cl8 N8 O16 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.134","0.0842","","","0.2324","0.2696","","","","","","1.038","","","","has coordinates,has disorder","294473","2024-09-05","23:48:50",""
"1572084","12.6808","0.0011","24.763","0.002","18.6875","0.0016","90","","97.784","0.006","90","","5814.1","0.9","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H66 Cu0.25 I0.25 N7 O3 -","- C65 H60 N2 O8 -","- C260 H240 N8 O32 -","4","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","","1.54178","cukα","","0.1047","0.0643","","","0.1578","0.1868","","","","","","1.013","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572085","10.3276","0.0009","32.363","0.002","25.149","0.002","90","","95.279","0.003","90","","8370","1.1","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C102 H99 N4 O9.5 -","- C102 H96 N4 O8 -","- C408 H384 N16 O32 -","4","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1995","0.0982","","","0.1608","0.2024","","","","","","1.096","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572086","12.1284","0.0009","21.1102","0.0019","35.055","0.003","90","","96.044","0.004","90","","8925.3","1.3","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C164 H202 Cu4 N10 O46 -","- C149 H155 Cu4 N5 O35 -","- C298 H310 Cu8 N10 O70 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.1338","0.0678","","","0.171","0.1979","","","","","","1.001","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572087","12.0846","0.0019","21.322","0.004","19.015","0.003","90","","104.018","0.005","90","","4753.6","1.4","292","","292","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C85 H102 Cu2 N6 O21 -","- C76 H79 Cu2 N3 O17 -","- C152 H158 Cu4 N6 O34 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1012","0.0696","","","0.1862","0.2079","","","","","","1.039","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572088","12.358","0.0003","16.3529","0.0004","17.9257","0.0004","97.387","0.001","103.424","0.001","98.455","0.001","3435.12","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H81 Cu2 N3 O18 -","- C76 H81 Cu2 N3 O18 -","- C152 H162 Cu4 N6 O36 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","","0.71073","MoKα","","0.1013","0.0765","","","0.2088","0.2213","","","","","","1.063","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572089","19.721","0.005","21.191","0.005","13.551","0.003","90","","90","","90","","5663","2","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C112 H114 Cu2 N6 O18 -","- C106 H100 Cu2 N4 O16 -","- C212 H200 Cu4 N8 O32 -","2","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1488","0.0901","","","0.2368","0.2844","","","","","","0.965","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572090","13.9766","0.0005","18.8234","0.0008","24.3526","0.0009","112.329","0.001","103.588","0.001","92.94","0.001","5689.8","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H109 Co N11 O19 -","- C88 H79 Co N7.001 O14.003 -","- C176 H158 Co2 N14.002 O28.006 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1353","0.0845","","","0.2301","0.2653","","","","","","1.022","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572091","13.9662","0.0006","14.997","0.0006","20.3479","0.0008","94.792","0.002","106.615","0.003","92.619","0.003","4058.9","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H102 Co N6 O20 -","- C72 H73 Co N3 O13 -","- C144 H146 Co2 N6 O26 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.2276","0.1242","","","0.2793","0.3242","","","","","","1.017","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572092","19.8","0.003","21.138","0.004","13.471","0.003","90","","90","","90","","5638","1.9","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C112 H122 Cu2 N6 O22 -","- C106 H100 Cu2 N4 O16 -","- C212 H200 Cu4 N8 O32 -","2","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1204","0.0874","","","0.2423","0.2795","","","","","","1.008","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572093","16.692","0.002","19.198","0.003","20.104","0.003","69.195","0.004","81.27","0.004","83.209","0.003","5938.1","1.5","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C126 H148 Cu3 N8 O27 -","- C114 H114 Cu3 N4 O20 -","- C228 H228 Cu6 N8 O40 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1664","0.1238","","","0.3054","0.3325","","","","","","1.103","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572094","22.8584","0.0007","41.6812","0.0012","13.7257","0.0005","90","","92.088","0.002","90","","13068.7","0.7","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C117 H146 Cu2 N7 O30 -","- C111 H112 Cu2 N5 O18 -","- C444 H448 Cu8 N20 O72 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.54178","CuKα","","0.1173","0.0992","","","0.2673","0.2841","","","","","","1.141","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572095","13.7025","0.0003","22.6702","0.0005","41.6085","0.001","90","","90","","90","","12925.2","0.5","193","","193","","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C114 H136 Cu2 I4 N8 O18 -","- C102 H103.996 Cu2 I4 N4 O11.998 -","- C408 H415.984 Cu8 I16 N16 O47.992 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.54178","CuKα","","0.1716","0.1319","","","0.3146","0.3384","","","","","","1.142","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572096","30.2976","0.0008","30.0377","0.0008","15.67","0.0004","90","","91.577","0.001","90","","14255.4","0.6","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H154 Cu4 N6 O36 -","- C124 H134 Cu4 N6 O26 -","- C496 H536 Cu16 N24 O104 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.54178","CuKα","","0.069","0.0616","","","0.1833","0.1893","","","","","","1.024","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572097","18.5576","0.0019","40.892","0.004","24.167","0.002","90","","90.15","0.006","90","","18339","3","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C409 H429 Co8 N29 O76.5 -","- C370 H328 Co8 N16 O58.5 -","- C740 H656 Co16 N32 O117 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.2205","0.1129","","","0.2609","0.3069","","","","","","1.248","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572098","13.2377","0.0003","14.9966","0.0003","20.4324","0.0004","81.365","0.002","71.316","0.002","86.856","0.002","3798.83","0.15","153","2","153.15","","","","","","","","","7","P -1","-P 1","2","","","","- C75.69 H82.28 Cl0.41 Cu I0 N4.5 O13.69 -","- C75.692 H82.288 Cl0.404 Cu N4.5 O13.692 -","- C151.384 H164.576 Cl0.808 Cu2 N9 O27.384 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","","1.54178","CuKα","","0.0881","0.0779","","","0.2378","0.2497","","","","","","1.029","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572099","13.8537","0.0008","22.6927","0.0015","41.561","0.003","90","","90","","90","","13065.9","1.5","193","","193","","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C110 H138.5 Cu2 N4 O31.25 -","- C110 H120.5 Cu2 N4 O22.25 -","- C440 H482 Cu8 N16 O89 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.209","0.138","","","0.3019","0.3428","","","","","","1.023","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572100","13.7491","0.0007","41.664","0.002","22.7927","0.0013","90","","91.86","0.003","90","","13049.7","1.2","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C122 H148 Cu2 N8 O26 -","- C113 H114.999 Cu2 N5 O17 -","- C452 H459.995 Cu8 N20 O68 -","4","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.1896","0.1124","","","0.2949","0.3365","","","","","","1.08","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572101","6.8833","0.0011","7.8177","0.001","14.677","0.004","90","","99.67","0.02","90","","778.6","0.3","111.6","0.14","111.6","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","0.71073","MoKα","","0.0725","0.0573","","","0.1181","0.1337","","","","","","1.059","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572102","7.1378","0.0008","8.1657","0.0005","11.6045","0.0011","85.389","0.006","79.331","0.009","68.354","0.008","617.75","0.11","116.5","0.3","116.5","0.3","","","","","","","","5","P 1","P 1","1","","","","- C29 H27 Br N2 O3 -","- C29 H27 Br N2 O3 -","- C29 H27 Br N2 O3 -","1","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","1.54184","CuKα","","0.039","0.0367","","","0.0888","0.0911","","","","","","1.055","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572103","12.115","0.003","20.818","0.004","21.153","0.003","90","","90","","90","","5335","1.8","115","0.14","115","0.14","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H32 N2 O2 S -","- C33 H32 N2 O2 S -","- C264 H256 N16 O16 S8 -","8","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","0.71073","MoKα","","0.17","0.0783","","","0.1267","0.167","","","","","","1.029","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572104","11.56222","0.00007","12.72345","0.00007","18.05699","0.0001","90","","93.4414","0.0005","90","","2651.6","0.03","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 Na2 O6 -","- C60 H78 Na2 O6 -","- C120 H156 Na4 O12 -","2","0.5","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0448","0.0437","","","0.1145","0.1154","","","","","","1.043","","","","has coordinates,has disorder","294466","2024-09-05","23:45:29",""
"1572105","24.0658","0.0004","5.9795","0.0001","30.3634","0.0004","90","","109.168","0.002","90","","4127.1","0.12","150","2","150","0.1","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C30 H26 -","- C30 H26 -","- C240 H208 -","8","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0484","0.0414","","","0.0911","0.0946","","","","","","1.088","","","","has coordinates","294466","2024-09-05","23:45:29",""
"1572106","9.0055","0.0002","8.75137","0.00016","12.0243","0.0003","90","","97.095","0.002","90","","940.38","0.04","150","2","150","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H22 -","- C27 H22 -","- C54 H44 -","2","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0417","0.0375","","","0.1101","0.1109","","","","","","1.416","","","","has coordinates","294466","2024-09-05","23:45:29",""
"1572107","10.36315","0.00007","23.53932","0.00017","18.81353","0.00015","90","","100.857","0.0007","90","","4507.26","0.06","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 O4 Rh2 -","- C56 H58 O4 Rh2 -","- C224 H232 O16 Rh8 -","4","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0335","0.0306","","","0.0736","0.0751","","","","","","1.105","","","","has coordinates,has disorder","294466","2024-09-05","23:45:29",""
"1572108","11.0112","0.0001","8.7626","0.0001","19.1326","0.0002","90","","91.573","0.001","90","","1845.35","0.03","150","2","150","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0391","0.036","","","0.0874","0.0897","","","","","","1.053","","","","has coordinates","294466","2024-09-05","23:45:29",""
"1572109","8.9968","0.0003","11.2118","0.0004","11.8","0.0005","97.93","0.001","103.022","0.001","108.05","0.001","1074.49","0.07","109","","109","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H33 N2 P -","- C22 H33 N2 P -","- C44 H66 N4 P2 -","2","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0402","0.0374","","","0.1031","0.1052","","","","","","1.061","","","","has coordinates","293775","2024-08-05","18:11:57",""
"1572110","9.9418","0.0008","16.3863","0.001","13.0368","0.0009","90","","90","","90","","2123.8","0.3","108","","108","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C23 H33 N2 P -","- C23 H33 N2 P -","- C92 H132 N8 P4 -","4","0.5","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0622","0.0521","","","0.1163","0.1209","","","","","","1.08","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"1572111","13.453","0.009","14.372","0.015","19.53","0.03","90","","90","","90","","3776","7","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 I N2 O3 P Y -","- C34 H55 I N2 O3 P Y -","- C136 H220 I4 N8 O12 P4 Y4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0407","0.034","","","0.0761","0.078","","","","","","1.052","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572112","13.4115","0.0009","14.1878","0.001","19.0912","0.0014","90","","90","","90","","3632.7","0.4","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 I Lu N2 O3 P -","- C34 H55 I Lu N2 O3 P -","- C136 H220 I4 Lu4 N8 O12 P4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0232","0.0215","","","0.0443","0.0447","","","","","","1.126","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572113","10.0823","0.0013","28.934","0.004","15.635","0.002","90","","99.158","0.004","90","","4502.9","1","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 N2 O2 P Y -","- C47 H70 N2 O2 P Y -","- C188 H280 N8 O8 P4 Y4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0608","0.0428","","","0.1043","0.1109","","","","","","1.046","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572114","13.352","0.002","14.546","0.003","19.171","0.004","90","","90","","90","","3723.4","1.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 I La N2 O3 P -","- C34 H55 I La N2 O3 P -","- C136 H220 I4 La4 N8 O12 P4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0264","0.0262","","","0.0617","0.0619","","","","","","1.06","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572115","21.1393","0.0006","21.1393","0.0006","10.827","0.0004","90","","90","","90","","4838.3","0.3","100","","100","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C51 H69 La N2 O2 P -","- C51 H69 La N2 O2 P -","- C204 H276 La4 N8 O8 P4 -","4","0.5","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0372","0.0333","","","0.0867","0.088","","","","","","1.062","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"1572116","10.0585","0.0004","28.9336","0.001","15.5726","0.0006","90","","99.117","0.002","90","","4474.8","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 Lu N2 O2 P -","- C47 H70 Lu N2 O2 P -","- C188 H280 Lu4 N8 O8 P4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0397","0.035","","","0.0736","0.0747","","","","","","1.237","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572117","12.7857","0.0014","18.839","0.002","19.534","0.002","98.801","0.003","105.57","0.003","99.416","0.003","4374.4","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H139 N4 O3.5 P2 Y2 -","- C92 H139 N4 O3.5 P2 Y2 -","- C184 H278 N8 O7 P4 Y4 -","2","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0342","0.0279","","","0.0659","0.0683","","","","","","1.023","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"1572120","10.29909","0.00012","10.79136","0.00013","27.3078","0.0003","90","","90","","90","","3035.02","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C144 H192 O32 -","8","2","","Kim, Ryungwoo; Wu, Yanting; Tong, Rongbiao","Asymmetric total syntheses of sarglamides A, C, D, E, and F.","Chemical science","2024","15","32","12856","12860","10.1039/d4sc03553d","","x-ray","1.54184","CuKα","","0.0389","0.0344","","","0.0834","0.0869","","","","","","1.043","","","","has coordinates","294467","2024-09-05","23:45:39",""
"1572121","19.3307","0.0008","12.1908","0.0005","9.1228","0.0003","90","","90","","90","","2149.85","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H35 Fe N3 O S2 -","- C17 H35 Fe N3 O S2 -","- C68 H140 Fe4 N12 O4 S8 -","4","1","","Lundahl, Maike N.; Greiner, Maria B.; Piquette, Marc C.; Gannon, Paige M.; Kaminsky, Werner; Kovacs, Julie A.","Exploring the influence of H-bonding and ligand constraints on thiolate ligated non-heme iron mediated dioxygen activation.","Chemical science","2024","15","32","12710","12720","10.1039/d4sc02787f","","x-ray","0.71073","MoKα","","0.0365","0.0278","","","0.0541","0.0574","","","","","","1.037","","","","has coordinates","294464","2024-09-05","23:45:10",""
"1572123","12.3091","0.0002","5.0734","0.0001","41.7053","0.0004","90","","90","","90","","2604.45","0.07","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C120 H96 F24 N8 O16 -","8","2","","Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro","Preparation of intrinsically fragile bent crystals.","Chemical science","2024","15","31","12258","12263","10.1039/d4sc02918f","","x-ray","1.54184","CuKα","","0.0422","0.0406","","","0.1075","0.1087","","","","","","1.072","","","","has coordinates","294486","2024-09-05","23:56:04",""
"1572124","6.6355","0.0005","7.3234","0.0005","15.7183","0.001","82.822","0.005","80.835","0.006","65.136","0.007","682.74","0.09","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C30 H24 F6 N2 O4 -","2","1","","Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro","Preparation of intrinsically fragile bent crystals.","Chemical science","2024","15","31","12258","12263","10.1039/d4sc02918f","","x-ray","1.54184","CuKα","","0.0666","0.0614","","","0.1776","0.1873","","","","","","1.084","","","","has coordinates","294486","2024-09-05","23:56:04",""
"1572125","4.9586","0.0002","11.2709","0.0004","24.119","0.0008","90","","95.674","0.003","90","","1341.36","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C60 H48 F12 N4 O8 -","4","1","","Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro","Preparation of intrinsically fragile bent crystals.","Chemical science","2024","15","31","12258","12263","10.1039/d4sc02918f","","x-ray","1.54184","CuKα","","0.0547","0.0482","","","0.1306","0.1359","","","","","","1.067","","","","has coordinates","294486","2024-09-05","23:56:04",""
"1572126","7.2201","0.0002","18.5131","0.0007","31.5422","0.0009","90","","90.9593","0.0017","90","","4215.5","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H83 F12 N5 O P2 -","- C104 H83 F12 N5 O P2 -","- C208 H166 F24 N10 O2 P4 -","2","0.5","","Meador, William E.; Saucier, Matthew A.; Tucker, Max R.; Kruse, Nicholas A.; Mobley, Alexander J.; Brower, Connor R.; Parkin, Sean R.; Clark, Kensha M.; Hammer, Nathan I.; Tschumper, Gregory S.; Delcamp, Jared H.","Extended shortwave infrared absorbing antiaromatic fluorenium-indolizine chromophores.","Chemical science","2024","15","31","12349","12360","10.1039/d4sc00733f","","","1.54178","CuKα","","0.1081","0.0756","","","0.2298","0.2614","","","","","","1.053","","","","has coordinates,has disorder","294482","2024-09-05","23:55:01",""
"1572130","10.763","0.0016","15.914","0.002","18.23","0.003","90","","95.148","0.005","90","","3109.9","0.8","288","2","288","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Pu(Kläui)Cl3","PuCl3{CoCp[OP(OEt)2]3}","","- C17 H35 Cl3 Co O9 P3 Pu -","- C17 H35 Cl3 Co O9 P3 Pu -","- C68 H140 Cl12 Co4 O36 P12 Pu4 -","4","1","","Shaw, Thomas E.; Jones, Zachary R.; Adelman, Sara L.; Anderson, Nickolas H.; Bowes, Eric G.; Bauer, Eric D.; Dan, David; Klouda, Jan; Knope, Karah E.; Kozimor, Stosh A.; MacInnes, Molly M.; Mocko, Veronika; Rocha, Francisca R.; Root, Harrison D.; Stein, Benjamin W.; Thompson, Joe D.; Wacker, Jennifer N.","PuCl<sub>3</sub>{CoCp[OP(OEt)<sub>2</sub>]<sub>3</sub>}: transuranic elements entering the field of heterometallic molecular chemistry.","Chemical science","2024","15","32","12754","12764","10.1039/d4sc01767f","","","0.71073","MoKα","","0.0503","0.0385","","","0.0792","0.0837","","","","","","1.084","","","","has coordinates,has disorder","294463","2024-09-05","23:45:01",""
"1572136","7.6006","0.0002","22.3585","0.0004","20.9221","0.0004","90","","90.948","0.002","90","","3554.97","0.13","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N10 Ni O4 -","- C40 H30 N10 Ni O4 -","- C160 H120 N40 Ni4 O16 -","4","1","","Sakurai, Takahiro; Tanabe, Tappei; Iguchi, Hiroaki; Li, Zhuowei; Matsuda, Wakana; Tsutsui, Yusuke; Seki, Shu; Matsuda, Ryotaro; Shinokubo, Hiroshi","An n-type semiconducting diazaporphyrin-based hydrogen-bonded organic framework.","Chemical science","2024","15","32","12922","12927","10.1039/d4sc03455d","","x-ray","0.71073","MoKα","","0.1202","0.0741","","","0.1546","0.1761","","","","","","1.073","","","","has coordinates","294461","2024-09-05","23:44:39",""
"1572137","17.8348","0.0014","22.4557","0.0019","25.22","0.002","105.856","0.003","107.732","0.002","105.18","0.002","8573.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C203 H178 F24 N12 O5 P4 Rh4 -","- C203 H178 F24 N12 O5 P4 Rh4 -","- C406 H356 F48 N24 O10 P8 Rh8 -","2","1","","Ibáñez, Susana; Mejuto, Carmen; Cerón, Katherin; Sanz Miguel, Pablo J.; Peris, Eduardo","A corannulene-based metallobox for the encapsulation of fullerenes.","Chemical science","2024","15","33","13415","13420","10.1039/d4sc03661a","","","0.71073","MoKα","","0.1806","0.1129","","","0.3092","0.3582","","","","","","1.02","","","","has coordinates,has disorder","294469","2024-09-05","23:46:19",""
"1572138","11.287","0.006","12.693","0.006","18.454","0.01","101.306","0.014","101.726","0.015","97.471","0.014","2498","2","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H52 B N2 S -","- C60 H52 B N2 S -","- C120 H104 B2 N4 S2 -","2","1","","Zhong, Rui; Wang, Mengyu; Wang, Xingdong; Wang, Shumeng; Shao, Shiyang; Wang, Lixiang","10-Dibenzothiophenyl-9,9-diphenylacridane-based multiple resonance emitters for high-efficiency narrowband green OLEDs with CIE <i>y</i> > 0.7 at high doping concentrations.","Chemical science","2024","15","33","13290","13298","10.1039/d4sc03705g","","","0.71073","MoKα","","0.1857","0.0976","","","0.2474","0.302","","","","","","1.066","","","","has coordinates","294474","2024-09-05","23:49:11",""
"1572139","5.9905","0.0004","8.0684","0.0005","16.5496","0.0009","96.029","0.005","98.627","0.005","92.934","0.005","784.65","0.08","453","2","453","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","2","","Zhang, Hao; Wen, Wei; Wang, Yu-Yang; Lu, Ze-Xi; Liu, Jin-Long; Wu, Zhu-Lian; Cai, Tian; Guo, Qi-Xiang","Asymmetric bifunctionalization of allenes with aryl iodides and amino acids enabled by chiral aldehyde/palladium combined catalysis.","Chemical science","2024","15","32","12983","12988","10.1039/d4sc03398a","","","1.54184","CuKα","","0.0861","0.0835","","","0.2273","0.2314","","","","","","1.07","","","","has coordinates","294465","2024-09-05","23:45:16",""
"1572140","14.2638","0.001","17.9124","0.0012","14.1231","0.001","90","","105.354","0.008","90","","3479.6","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N2 S -","- C48 H34 N2 S -","- C192 H136 N8 S4 -","4","0.5","","Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.","Chemical science","2024","15","32","13001","13010","10.1039/d4sc03039g","","x-ray","0.71073","MoKα","","0.0548","0.0421","","","0.0945","0.1031","","","","","","1.027","","","","has coordinates","294462","2024-09-05","23:44:50",""
"1572141","14.6095","0.0011","17.9909","0.0012","14.0147","0.001","90","","104.842","0.007","90","","3560.7","0.5","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N2 O2 S -","- C48 H34 N2 O2 S -","- C192 H136 N8 O8 S4 -","4","0.5","","Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.","Chemical science","2024","15","32","13001","13010","10.1039/d4sc03039g","","x-ray","0.71073","MoKα","","0.0642","0.0508","","","0.1224","0.1338","","","","","","1.062","","","","has coordinates","294462","2024-09-05","23:44:50",""
"1572142","14.3196","0.0016","17.8821","0.0017","14.0725","0.0016","90","","104.757","0.012","90","","3484.6","0.7","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H34 N2 O S -","- C48 H34 N2 O S -","- C192 H136 N8 O4 S4 -","4","1","","Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.","Chemical science","2024","15","32","13001","13010","10.1039/d4sc03039g","","x-ray","0.71073","MoKα","","0.1179","0.0708","","","0.1497","0.1829","","","","","","1.045","","","","has coordinates","294462","2024-09-05","23:44:50",""
"1572143","17.37","0.004","18.92","0.004","33.75","0.007","90","","90","","90","","11092","4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C50 H78 Cl2 Ge N6 O1.5 P2 -","- C50 H77.9985 Cl2 Ge N6 O1.5 P2 -","- C400 H623.988 Cl16 Ge8 N48 O12 P16 -","8","1","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1609","0.0792","","","0.2137","0.2622","","","","","","1.002","","","","has coordinates,has disorder","295190","2024-10-06","07:06:40",""
"1572144","10.76","0.002","12.31","0.003","15.63","0.003","97.5","0.03","99.4","0.03","96","0.03","2008.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H120 N8 Ni2 O2 P4 -","- C82 H120 N8 Ni2 O2 P4 -","- C82 H120 N8 Ni2 O2 P4 -","1","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.0684","0.0375","","","0.0739","0.0792","","","","","","0.877","","","","has coordinates,has disorder","295190","2024-10-06","07:06:40",""
"1572145","9.912","0.002","14.075","0.003","15.094","0.003","66.91","0.03","70.89","0.03","76.79","0.03","1818.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H108 N4 Ni2 O4 P4 -","- C72 H108 N4 Ni2 O4 P4 -","- C72 H108 N4 Ni2 O4 P4 -","1","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1592","0.0644","","","0.1155","0.1483","","","","","","0.964","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572146","15.304","0.003","34.054","0.007","9.7484","0.0019","90","","97.35","0.03","90","","5038.8","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H34 N2 Ni0.5 O P -","- C22.5 H34 N2 Ni0.5 O P -","- C180 H272 N16 Ni4 O8 P8 -","8","2","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.2087","0.0772","","","0.1869","0.2419","","","","","","0.894","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572147","9.89","0.002","21.59","0.004","15.52","0.003","90","","93.1","0.03","90","","3309.1","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H88 N8 Ni2 O2 P4 -","- C66 H88 N8 Ni2 O2 P4 -","- C132 H176 N16 Ni4 O4 P8 -","2","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1306","0.0518","","","0.0841","0.102","","","","","","0.923","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572148","35.655","0.005","35.655","0.005","15.13","0.003","90","","90","","90","","19234","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C82 H120 Cl2 Cu2 N8 Ni2 O2 P4 -","- C82 H120 Cl2 Cu2 N8 Ni2 O2 P4 -","- C656 H960 Cl16 Cu16 N64 Ni16 O16 P32 -","8","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1511","0.0635","","","0.1364","0.1618","","","","","","0.821","","","","has coordinates,has disorder","295190","2024-10-06","07:06:40",""
"1572149","10.84","0.002","23.82","0.005","26.54","0.005","90","","100.2","0.03","90","","6745","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N4 O P2 -","- C30 H38 N4 O P2 -","- C240 H304 N32 O8 P16 -","8","2","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1688","0.0764","","","0.1693","0.1929","","","","","","0.862","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572150","18.707","0.004","15.187","0.003","31.54","0.006","90","","99.45","0.03","90","","8839","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N4 O P2 -","- C41 H60 N4 O P2 -","- C328 H480 N32 O8 P16 -","8","2","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1088","0.0561","","","0.1337","0.1496","","","","","","0.911","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572151","21.3809","0.0004","11.8823","0.0002","26.6796","0.0005","90","","100.995","0.002","90","","6653.6","0.2","150","0.2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H68 I3 N6 Na O9 -","- C58 H68 I3 N6 Na O9 -","- C232 H272 I12 N24 Na4 O36 -","4","1","","Tay, Hui Min; Docker, Andrew; Hua, Carol; Beer, Paul D.","Selective sodium halide over potassium halide binding and extraction by a heteroditopic halogen bonding [2]catenane.","Chemical science","2024","15","32","13074","13081","10.1039/d4sc03381g","","","1.54184","CuKα","","0.0689","0.0487","","","0.1202","0.1385","","","","","","1.022","","","","has coordinates,has disorder","294460","2024-09-05","23:44:30",""
"1572152","12.7215","0.0005","15.7043","0.0006","16.4829","0.0006","99.04","0.001","90.039","0.001","111.104","0.002","3028.1","0.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H33 Br N2 O2 -","- C38 H33 Br N2 O2 -","- C152 H132 Br4 N8 O8 -","4","2","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","x-ray","0.71073","MoKα","","0.109","0.0574","","","0.1179","0.144","","","","","","0.995","","","","has coordinates,has disorder","294471","2024-09-05","23:46:54",""
"1572153","11.4007","0.0003","12.6971","0.0003","23.0034","0.0006","90","","90","","90","","3329.88","0.15","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35 N3 O4 -","- C42 H35 N3 O4 -","- C168 H140 N12 O16 -","4","1","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","","1.54178","CuKα","","0.0249","0.0245","","","0.0645","0.0648","","","","","","1.054","","","","has coordinates","294471","2024-09-05","23:46:55",""
"1572154","10.8233","0.0006","7.0541","0.0004","18.1771","0.001","90","","94.633","0.002","90","","1383.26","0.13","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H34 N2 O2 -","- C35 H34 N2 O2 -","- C70 H68 N4 O4 -","2","1","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","","1.54178","CuKα","","0.0321","0.0319","","","0.0804","0.0807","","","","","","1.088","","","","has coordinates","294471","2024-09-05","23:46:55",""
"1572155","10.0009","0.0005","11.0174","0.0006","34.0362","0.0018","90","","90","","90","","3750.2","0.3","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H41 N3 O6 -","- C45 H41 N3 O6 -","- C180 H164 N12 O24 -","4","1","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","","1.54178","CuKα","","0.0575","0.0557","","","0.1536","0.157","","","","","","1.086","","","","has coordinates,has disorder","294471","2024-09-05","23:46:55",""
"1572156","9.12295","0.00012","9.29509","0.00014","10.32066","0.00017","66.4462","0.0015","78.678","0.0013","73.4692","0.0012","765.7","0.02","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C36 H36 O4 S2 -","2","1","","Chi, Zhuomin; Zhou, Yongchao; Liu, Bingbing; Xu, Xiaojing; Liu, Xueyuan; Liang, Yongmin","Nickel-catalyzed regiodivergent sulfonylarylation of 1,3-enynes to access allenes and dienes.","Chemical science","2024","15","33","13271","13278","10.1039/d4sc03067b","","x-ray","1.54184","CuKα","","0.0317","0.0313","","","0.0855","0.0859","","","","","","1.052","","","","has coordinates,has disorder","294476","2024-09-05","23:49:28",""
"1572160","21.6654","0.0002","11.6105","0.0001","15.6201","0.0001","90","","96.284","0.001","90","","3905.57","0.06","100","0.11","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 N4 S4 U -","- C32 H64 N4 S4 U -","- C128 H256 N16 S16 U4 -","4","1","","Kelly, Sheridon N.; Russo, Dominic R.; Ouellette, Erik T.; Roy, Debashree; Swift, Andrew J.; Boreen, Michael A.; Smith, Patrick W.; Moreau, Liane M.; Arnold, John; Minasian, Stefan G.","Formation of uranium disulfide from a uranium thioamidate single-source precursor.","Chemical science","2024","15","33","13325","13332","10.1039/d4sc03422h","","","1.54184","CuKα","","0.0252","0.0227","","","0.0586","0.0599","","","","","","1.103","","","","has coordinates","294472","2024-09-05","23:47:05",""
"1572161","8.14215","0.00012","11.39563","0.0002","21.7386","0.0003","90","","90","","90","","2017.01","0.05","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 Cl Cu N -","- C21 H31 Cl Cu N -","- C84 H124 Cl4 Cu4 N4 -","4","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0211","0.0202","","","0.0538","0.0544","","","","","","1.034","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572162","9.6227","0.0003","8.2304","0.0003","12.9158","0.0003","90","","98.352","0.002","90","","1012.07","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl Cu N -","- C21 H31 Cl Cu N -","- C42 H62 Cl2 Cu2 N2 -","2","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0343","0.031","","","0.0756","0.0777","","","","","","1.046","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572163","10.5297","0.0005","13.2008","0.0007","16.3003","0.0007","90","","90","","90","","2265.75","0.19","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl Cu N -","- C23 H35 Cl Cu N -","- C92 H140 Cl4 Cu4 N4 -","4","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0905","0.0855","","","0.2395","0.247","","","","","","1.061","","","","has coordinates,has disorder","294501","2024-09-06","00:00:24",""
"1572164","8.5182","0.0002","15.3074","0.0005","9.1646","0.0003","90","","103.104","0.003","90","","1163.87","0.06","140","0.3","140","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl Cu N S -","- C23 H35 Cl Cu N S -","- C46 H70 Cl2 Cu2 N2 S2 -","2","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0493","0.0472","","","0.1217","0.1234","","","","","","1.041","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572165","18.5489","0.0009","8.927","0.0004","27.5267","0.0011","90","","109.441","0.005","90","","4298.2","0.4","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H69 Cl2 N O Ru -","- C36 H45 Cl2 N O Ru -","- C144 H180 Cl8 N4 O4 Ru4 -","4","2","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0966","0.0852","","","0.2177","0.2261","","","","","","1.088","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572166","11.5043","0.0003","16.034","0.0004","17.8672","0.0005","90","","90","","90","","3295.78","0.15","139.99","0.1","139.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Cl2 N O Ru -","- C35 H45 Cl2 N O Ru -","- C140 H180 Cl8 N4 O4 Ru4 -","4","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0659","0.055","","","0.137","0.1448","","","","","","1.065","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572170","11.5578","0.0008","15.0808","0.001","15.1865","0.0008","90","","109.789","0.002","90","","2490.7","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B2 F6 N6 -","- C22 H34 B2 F6 N6 -","- C88 H136 B8 F24 N24 -","4","1","","Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault","A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.","Chemical science","2024","15","33","13550","13557","10.1039/d4sc02871f","","","0.71073","MoKα","","0.0752","0.0511","","","0.1152","0.1321","","","","","","1.011","","","","has coordinates,has disorder","294470","2024-09-05","23:46:34",""
"1572171","12.8808","0.0005","12.9692","0.0005","13.6306","0.0005","75.784","0.003","67.305","0.003","60.961","0.003","1831.85","0.14","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 B2 F6 I6 N6 -","- C22 H36 B2 F6 I6 N6 -","- C44 H72 B4 F12 I12 N12 -","2","1","","Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault","A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.","Chemical science","2024","15","33","13550","13557","10.1039/d4sc02871f","","","1.54178","CuKα","","0.0984","0.0541","","","0.1187","0.1381","","","","","","1.002","","","","has coordinates","294470","2024-09-05","23:46:35",""
"1572172","17.1147","0.0008","9.0627","0.0005","16.9949","0.0008","90","","90","","90","","2636","0.2","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C22 H36 B2 F6 N6 O2 Zn -","- C22 H36 B2 F6 N6 O2 Zn -","- C88 H144 B8 F24 N24 O8 Zn4 -","4","1","","Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault","A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.","Chemical science","2024","15","33","13550","13557","10.1039/d4sc02871f","","","0.71073","MoKα","","0.0303","0.0239","","","0.0499","0.0521","","","","","","1.047","","","","has coordinates,has disorder","294470","2024-09-05","23:46:35",""
"1572173","11.4757","0.0002","7.6251","0.0002","30.9076","0.0007","90","","99.557","0.001","90","","2666.98","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N2 O4 -","- C28 H46 N2 O4 -","- C112 H184 N8 O16 -","4","1","","Bhattacharya, Debkanta; Scherübl, Maximilian; Daniliuc, Constantin G.; Studer, Armido","Intermolecular radical oxyalkylation of arynes with alkenes and TEMPO.","Chemical science","2024","15","34","13712","13716","10.1039/d4sc04369c","","single crystal","1.54178","CuKα","","0.0499","0.0379","","","0.0829","0.0893","","","","","","1.046","","","","has coordinates","294492","2024-09-05","23:57:37",""
"1572174","15.3322","0.0006","7.6032","0.0003","22.4351","0.0008","90","","91.006","0.002","90","","2614.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl2 N2 O2 -","- C26 H42 Cl2 N2 O2 -","- C104 H168 Cl8 N8 O8 -","4","1","","Bhattacharya, Debkanta; Scherübl, Maximilian; Daniliuc, Constantin G.; Studer, Armido","Intermolecular radical oxyalkylation of arynes with alkenes and TEMPO.","Chemical science","2024","15","34","13712","13716","10.1039/d4sc04369c","","single crystal","1.54178","CuKα","","0.0339","0.0307","","","0.0755","0.0777","","","","","","1.028","","","","has coordinates","294492","2024-09-05","23:57:38",""
"1572175","10.31","0.0002","14.2475","0.0002","21.2431","0.0004","90","","101.444","0.002","90","","3058.4","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.038","0.0304","","","0.0713","0.0749","","","","","","1.046","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572176","10.4052","0.0003","14.404","0.0004","21.488","0.0007","90","","102.191","0.003","90","","3147.92","0.17","270","0.1","270","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0568","0.0372","","","0.0802","0.0871","","","","","","1.036","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572177","10.4206","0.0003","14.4229","0.0004","21.5777","0.0007","90","","102.327","0.003","90","","3168.26","0.17","300","0.1","300","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0626","0.0394","","","0.0878","0.0956","","","","","","1.05","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572178","10.3485","0.0002","14.3166","0.0003","21.297","0.0005","90","","101.719","0.002","90","","3089.49","0.12","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0421","0.0306","","","0.0677","0.0723","","","","","","1.05","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572179","10.4118","0.0003","14.4128","0.0004","21.5424","0.0007","90","","102.244","0.003","90","","3159.19","0.17","290","0.1","290","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0595","0.0373","","","0.0817","0.0888","","","","","","1.04","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572180","10.3635","0.0002","14.3461","0.0003","21.3369","0.0005","90","","101.833","0.002","90","","3104.87","0.12","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0438","0.0318","","","0.0697","0.074","","","","","","1.055","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572181","10.3931","0.0003","14.392","0.0004","21.4414","0.0006","90","","102.072","0.003","90","","3136.23","0.16","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0531","0.0364","","","0.0795","0.0853","","","","","","1.039","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572182","10.3596","0.0002","14.3374","0.0003","21.325","0.0005","90","","101.8","0.002","90","","3100.46","0.12","190","0.1","190","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0442","0.0321","","","0.0721","0.0767","","","","","","1.039","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572183","10.3538","0.0002","14.3266","0.0003","21.3096","0.0005","90","","101.766","0.002","90","","3094.54","0.12","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0438","0.0316","","","0.0706","0.0756","","","","","","1.057","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572184","10.4058","0.0003","14.4072","0.0004","21.5108","0.0007","90","","102.195","0.003","90","","3152.09","0.17","280","0.1","280","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0577","0.037","","","0.0813","0.0884","","","","","","1.059","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572185","10.3478","0.0002","14.3119","0.0003","21.2778","0.0004","90","","101.654","0.0019","90","","3086.22","0.11","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0396","0.0297","","","0.0654","0.0692","","","","","","1.059","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572186","10.3865","0.0002","14.3825","0.0003","21.4194","0.0005","90","","102","0.002","90","","3129.79","0.12","240","0.1","240","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.05","0.0341","","","0.0741","0.0797","","","","","","1.045","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572187","10.338","0.00019","14.2897","0.0003","21.26","0.0004","90","","101.587","0.0018","90","","3076.67","0.11","140.15","0.1","140.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0396","0.0297","","","0.0664","0.0708","","","","","","1.028","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572188","10.31657","0.00018","14.2556","0.0002","21.2459","0.0004","90","","101.476","0.0017","90","","3062.15","0.09","110.01","0.1","110.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0389","0.0308","","","0.0733","0.077","","","","","","1.041","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572189","10.3238","0.00019","14.2662","0.0002","21.2517","0.0004","90","","101.523","0.0018","90","","3066.89","0.09","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0376","0.0289","","","0.066","0.0697","","","","","","1.04","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572190","10.399","0.0003","14.3997","0.0004","21.4703","0.0006","90","","102.143","0.003","90","","3143.08","0.16","260","0.1","260","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0558","0.0373","","","0.0812","0.088","","","","","","1.044","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572191","9.3436","0.0001","15.2429","0.0002","16.3815","0.0001","90","","98.51","0.001","90","","2307.42","0.04","100","0.2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Dy N -","- C26 H38 Dy N -","- C104 H152 Dy4 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","","1.54184","CuKα","","0.0337","0.0306","","","0.0829","0.0849","","","","","","1.073","","","","has coordinates","294477","2024-09-05","23:50:13",""
"1572192","10.33049","0.00019","14.2778","0.0002","21.2557","0.0004","90","","101.553","0.0018","90","","3071.63","0.09","130.15","0.1","130.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0394","0.0297","","","0.0661","0.0704","","","","","","1.032","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572193","10.3697","0.0002","14.3573","0.0003","21.3576","0.0005","90","","101.856","0.002","90","","3111.91","0.12","210","0.1","210","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0457","0.0331","","","0.0727","0.0773","","","","","","1.051","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572194","10.3061","0.0001","14.2414","0.0002","21.2495","0.0004","90","","101.465","0.002","90","","3056.63","0.08","100","0.2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 I4 N Y -","- C25 H32 Cl2 I4 N Y -","- C100 H128 Cl8 I16 N4 Y4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","","1.54184","CuKα","","0.0646","0.0589","","","0.162","0.1699","","","","","","0.999","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572195","10.3816","0.0002","14.3751","0.0003","21.3967","0.0005","90","","101.96","0.002","90","","3123.85","0.12","230","0.1","230","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0486","0.0339","","","0.0746","0.0802","","","","","","1.055","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572196","10.3396","0.0002","14.3064","0.0003","21.2014","0.0004","90","","101.314","0.002","90","","3075.22","0.11","99.8","0.6","99.8","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Gd I4 N -","- C25 H32 Cl2 Gd I4 N -","- C100 H128 Cl8 Gd4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0375","0.0301","","","0.0686","0.0719","","","","","","1.065","","","","has coordinates","294477","2024-09-05","23:50:13",""
"1572197","10.3772","0.0002","14.3687","0.0003","21.3762","0.0005","90","","101.907","0.002","90","","3118.76","0.12","220","0.1","220","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0467","0.0334","","","0.0743","0.0792","","","","","","1.054","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572198","10.344","0.0002","14.3003","0.0003","21.2652","0.0004","90","","101.627","0.0019","90","","3081.05","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0384","0.0293","","","0.0648","0.0682","","","","","","1.05","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572199","9.3429","0.00006","15.24462","0.00011","16.36886","0.00011","90","","98.4832","0.0006","90","","2305.89","0.03","100","0.1","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N Y -","- C26 H38 N Y -","- C104 H152 N4 Y4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","","1.54184","CuKα","","0.0276","0.0257","","","0.0673","0.0686","","","","","","1.0251","","","","has coordinates","294477","2024-09-05","23:50:13",""
"1572200","8.9799","0.0003","8.8926","0.0003","15.2066","0.0004","90","","105.554","0.003","90","","1169.85","0.07","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 B3 N -","- C9 H20 B3 N -","- C36 H80 B12 N4 -","4","1","","Fan, Zi-Heng; Kang, Jia-Xin; Jia, Sihan; Pan, Qiao-Jing; Cao, Lei; Chen, Xi-Meng; Xu, Cong-Qiao; Ma, Yan-Na; Chen, Xuenian","Triborane (B<sub>3</sub>H<sub>7</sub>)-mediated regioselective substitution reactions of pyridine derivatives.","Chemical science","2024","15","34","13923","13929","10.1039/d4sc03109a","","x-ray","1.54184","CuKα","","0.0534","0.0475","","","0.1362","0.1423","","","","","","1.095","","","","has coordinates,has disorder","294495","2024-09-05","23:58:30",""
"1572201","13.9099","0.0008","8.0101","0.0004","14.4607","0.0008","90","","90","","90","","1611.21","0.15","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H12 B3 N -","- C5 H12 B3 N -","- C40 H96 B24 N8 -","8","1","","Fan, Zi-Heng; Kang, Jia-Xin; Jia, Sihan; Pan, Qiao-Jing; Cao, Lei; Chen, Xi-Meng; Xu, Cong-Qiao; Ma, Yan-Na; Chen, Xuenian","Triborane (B<sub>3</sub>H<sub>7</sub>)-mediated regioselective substitution reactions of pyridine derivatives.","Chemical science","2024","15","34","13923","13929","10.1039/d4sc03109a","","x-ray","1.54184","CuKα","","0.0732","0.0546","","","0.139","0.1744","","","","","","1.141","","","","has coordinates","294495","2024-09-05","23:58:30",""
"1572203","8.2817","0.0006","12.1775","0.0011","24.094","0.002","90","","94.072","0.003","90","","2423.8","0.3","297","2","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 F2 N -","- C30 H27 F2 N -","- C120 H108 F8 N4 -","4","1","","Zhu, Yulei; Jia, Jie; Song, Xiangyu; Gong, Chunyu; Xia, Ying","Double strain-release enables formal C-O/C-F and C-N/C-F ring-opening metathesis.","Chemical science","2024","15","34","13800","13806","10.1039/d4sc03624g","","","0.71073","MoKα","","0.1264","0.0566","","","0.1308","0.1694","","","","","","1.013","","","","has coordinates","294497","2024-09-05","23:58:47",""
"1572207","12.7167","0.0003","30.5644","0.0008","12.3609","0.0003","90","","90.013","0.0013","90","","4804.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 N P Si2 -","- C21 H42 N P Si2 -","- C168 H336 N8 P8 Si16 -","8","2","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0577","0.049","","","0.1227","0.1277","","","","","","1.04","","","","has coordinates,has disorder","295192","2024-10-06","07:07:53",""
"1572208","10.2065","0.0003","19.2905","0.0005","11.5732","0.0003","90","","96.0698","0.001","90","","2265.86","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 N O P Si2 -","- C18 H38 N O P Si2 -","- C72 H152 N4 O4 P4 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0418","0.0364","","","0.0901","0.0933","","","","","","1.082","","","","has coordinates,has disorder","295192","2024-10-06","07:07:55",""
"1572209","15.9762","0.001","12.1459","0.0008","16.1325","0.001","90","","111.399","0.0012","90","","2914.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Cl4 Ga Ge N P Si2 -","- C18 H39 Cl4 Ga Ge N P Si2 -","- C72 H156 Cl16 Ga4 Ge4 N4 P4 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0298","0.0221","","","0.0546","0.0579","","","","","","1.02","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572210","9.8664","0.0004","10.8301","0.0005","13.2382","0.0005","83.1135","0.0016","86.3992","0.0016","69.5125","0.0016","1315.19","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 N P Si2 -","- C24 H46 N P Si2 -","- C48 H92 N2 P2 Si4 -","2","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0428","0.0345","","","0.0824","0.0862","","","","","","1.059","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572211","12.4246","0.0009","18.0809","0.0013","10.2515","0.0007","90","","90","","90","","2303","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H38 Ge N P Si2 -","- C18 H38 Ge N P Si2 -","- C72 H152 Ge4 N4 P4 Si8 -","4","0.5","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0191","0.0173","","","0.0498","0.0505","","","","","","1.076","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572212","12.0024","0.0009","11.8358","0.0009","23.4871","0.0018","90","","99.704","0.003","90","","3288.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H51 F6 Ge N P Sb Si2 -","- C24 H51 F6 Ge N P Sb Si2 -","- C96 H204 F24 Ge4 N4 P4 Sb4 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0404","0.0328","","","0.0864","0.0902","","","","","","1.033","","","","has coordinates,has disorder","295192","2024-10-06","07:07:55",""
"1572213","11.0704","0.0003","12.4659","0.0003","21.05","0.0006","90","","101.041","0.0011","90","","2851.18","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 Ge N2 Si2 -","- C25 H48 Ge N2 Si2 -","- C100 H192 Ge4 N8 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0268","0.0209","","","0.0548","0.0573","","","","","","1.057","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572214","19.5323","0.0004","19.5323","0.0004","29.2601","0.0006","90","","90","","120","","9667.5","0.3","297","2","297","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H102 B60 Cu14 N6 O8 S12 -","- C30 H102 B60 Cu14 N6 O8 S12 -","- C90 H306 B180 Cu42 N18 O24 S36 -","3","0.166667","","Jana, Arijit; Duary, Subrata; Das, Amitabha; Kini, Amoghavarsha Ramachandra; Acharya, Swetashree; Machacek, Jan; Pathak, Biswarup; Base, Tomas; Pradeep, Thalappil","Multicolor photoluminescence of Cu<sub>14</sub> clusters modulated using surface ligands.","Chemical science","2024","15","34","13741","13752","10.1039/d4sc01566e","","","0.71073","MoKα","","0.085","0.056","","","0.1588","0.1835","","","","","","1.04","","","","has coordinates,has disorder","294502","2024-09-06","00:00:36",""
"1572215","12.5483","0.0003","11.9429","0.0003","15.1906","0.0005","90","","102.609","0.003","90","","2221.61","0.11","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H6 F20 N4 O3 S -","- C42 H6 F20 N4 O3 S -","- C84 H12 F40 N8 O6 S2 -","2","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.1016","0.096","","","0.2356","0.2393","","","","","","1.063","","","","has coordinates,has disorder","294493","2024-09-05","23:57:58",""
"1572216","15.425","0.0006","7.9625","0.0003","17.8492","0.0008","90","","109.055","0.004","90","","2072.14","0.15","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H6 F20 N4 O3 S -","- C42 H6 F20 N4 O3 S -","- C84 H12 F40 N8 O6 S2 -","2","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0845","0.0534","","","0.1191","0.1299","","","","","","1.032","","","","has coordinates,has disorder","294493","2024-09-05","23:57:58",""
"1572217","11.9737","0.0002","16.1898","0.0003","22.2877","0.0003","90","","90","","90","","4320.51","0.12","179.99","0.1","179.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H12 F20 N6 O2 S2 -","- C46 H12 F20 N6 O2 S2 -","- C184 H48 F80 N24 O8 S8 -","4","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0622","0.0498","","","0.1439","0.152","","","","","","1.034","","","","has coordinates","294493","2024-09-05","23:57:58",""
"1572218","12.3899","0.0001","12.3899","0.0001","27.31","0.0004","90","","90","","90","","4192.35","0.08","180","0.1","180","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C42 H6 F20 N4 O2 S2 -","- C42 H6 F20 N4 O2 S2 -","- C168 H24 F80 N16 O8 S8 -","4","0.25","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0562","0.0502","","","0.1405","0.1445","","","","","","1.033","","","","has coordinates","294493","2024-09-05","23:57:58",""
"1572219","10.1581","0.0008","15.8205","0.0013","18.1159","0.0015","90","","90.355","0.003","90","","2911.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl6 N6 O6 S2 -","- C58 H56 Cl6 N6 O6 S2 -","- C116 H112 Cl12 N12 O12 S4 -","2","0.5","","Cutillas-Font, Guillermo; Pastor, Aurelia; Alajarin, Mateo; Martinez-Cuezva, Alberto; Marin-Luna, Marta; Batanero, Belen; Berna, Jose","Mechanical insulation of aza-Pechmann dyes within [2]rotaxanes.","Chemical science","2024","15","34","13823","13831","10.1039/d4sc03657c","","","0.71073","MoKα","","0.0774","0.0519","","","0.1296","0.1547","","","","","","1.08","","","","has coordinates","294494","2024-09-05","23:58:17",""
"1572220","14.549","0.005","14.378","0.005","30.473","0.01","90","","99.854","0.014","90","","6280","4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H86 N6 O6 S2 -","- C72 H86 N6 O6 S2 -","- C288 H344 N24 O24 S8 -","4","1","","Cutillas-Font, Guillermo; Pastor, Aurelia; Alajarin, Mateo; Martinez-Cuezva, Alberto; Marin-Luna, Marta; Batanero, Belen; Berna, Jose","Mechanical insulation of aza-Pechmann dyes within [2]rotaxanes.","Chemical science","2024","15","34","13823","13831","10.1039/d4sc03657c","","","0.71073","MoKα","","0.1174","0.0666","","","0.165","0.2205","","","","","","1.177","","","","has coordinates","294494","2024-09-05","23:58:17",""
"1572221","8.411","0.0005","9.8534","0.0007","9.884","0.0011","68.488","0.009","74.848","0.007","85.152","0.005","735.54","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4HgGa9S16Cl","","","- Cd Cl Ga9 K4 S16 -","- Cl Ga9 K4 Mn S16 -","- Cl Ga9 K4 Mn S16 -","1","1","","Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.","Chemical science","2024","15","34","13753","13759","10.1039/d4sc04018j","","","0.71073","MoKα","","0.0396","0.0373","","","0.0905","0.0915","","","","","","1.002","","","","has coordinates","294496","2024-09-05","23:58:38",""
"1572222","8.4316","0.0003","9.8787","0.0004","9.8986","0.0004","68.22","0.004","74.878","0.003","84.986","0.003","739.08","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4HgGa9S16Cl","","","- Cl Ga9 Hg K4 S16 -","- Cl Ga9 Hg K4 S16 -","- Cl Ga9 Hg K4 S16 -","1","1","","Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.","Chemical science","2024","15","34","13753","13759","10.1039/d4sc04018j","","","0.71073","MoKα","","0.0541","0.0486","","","0.1129","0.1154","","","","","","1","","","","has coordinates","294496","2024-09-05","23:58:39",""
"1572226","17.095","0.002","10.0218","0.001","7.0974","0.0008","90","","99.333","0.01","90","","1199.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cd Cl2 N -","- C13 H9 Cd Cl2 N -","- C52 H36 Cd4 Cl8 N4 -","4","1","","Yang, Xiao-Gang; Chen, Ying-Jun; Yin, Pei-Pei; Li, Yan; Yang, Shu-Yao; Li, Yi-Man; Ma, Lu-Fang","Low thermal quenching of metal halide-based metal-organic framework phosphor for light-emitting diodes.","Chemical science","2024","15","35","14202","14208","10.1039/d4sc04228j","","x-ray","0.71073","MoKα","","0.1147","0.0994","","","0.2296","0.2407","","","","","","1.391","","","","has coordinates","295195","2024-10-06","07:10:55",""
"1572238","8.0277","0.0005","10.4982","0.0004","22.0586","0.0011","90","","90","","90","","1859.02","0.16","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H12 Br2 O S -","- C22 H12 Br2 O S -","- C88 H48 Br8 O4 S4 -","4","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","","0.71073","MoKα","","0.0856","0.0529","","","0.106","0.1236","","","","","","1.071","","","","has coordinates","295196","2024-10-06","07:11:08",""
"1572239","12.4762","0.0008","12.4762","0.0008","9.5066","0.0006","90","","90","","120","","1281.51","0.14","200","0.1","200","0.1","","","","","","","","5","P 32","P 32","145","","","","- C20 H11 Br O S2 -","- C20 H11 Br O S2 -","- C60 H33 Br3 O3 S6 -","3","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0703","0.0457","","","0.0656","0.0774","","","","","","0.997","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572240","9.0211","0.0004","8.9321","0.0003","11.4528","0.0006","90","","113.132","0.006","90","","848.64","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H13 Br O S -","- C22 H13 Br O S -","- C44 H26 Br2 O2 S2 -","2","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0431","0.0347","","","0.0781","0.0834","","","","","","1.077","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572241","13.1561","0.0006","10.0689","0.0003","15.4836","0.0007","90","","109.024","0.005","90","","1939.05","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H24 Br4 O6 S4 -","- C42 H24 Br4 O6 S4 -","- C84 H48 Br8 O12 S8 -","2","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0687","0.0405","","","0.0608","0.0734","","","","","","1.023","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572242","7.4965","0.0003","19.112","0.0007","11.7078","0.0004","90","","96.131","0.004","90","","1667.82","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H11 Br O S2 -","- C20 H11 Br O S2 -","- C80 H44 Br4 O4 S8 -","4","2","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0708","0.044","","","0.0946","0.1082","","","","","","1.03","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572243","16.7347","0.0004","32.9396","0.0006","9.1702","0.0002","90","","94.685","0.002","90","","5038.04","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H18 N4 O -","- C33 H18 N4 O -","- C264 H144 N32 O8 -","8","2","","Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong","Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.","Chemical science","2024","15","36","14651","14659","10.1039/d4sc03667k","","x-ray","1.54178","CuKα","","0.0743","0.0458","","","0.1134","0.13","","","","","","0.964","","","","has coordinates","295184","2024-10-06","07:03:27",""
"1572244","5.8302","0.0007","15.5059","0.0015","33.206","0.003","90","","90","","90","","3001.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Cl3 N4 -","- C38 H25 Cl3 N4 -","- C152 H100 Cl12 N16 -","4","1","","Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong","Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.","Chemical science","2024","15","36","14651","14659","10.1039/d4sc03667k","","x-ray","1.54178","CuKα","","0.057","0.0478","","","0.1154","0.1219","","","","","","1.03","","","","has coordinates","295184","2024-10-06","07:03:27",""
"1572245","8.5144","0.0008","25.961","0.003","16.1272","0.0016","90","","101.375","0.005","90","","3494.8","0.6","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SAF-2NP","","- C47 H35 N5 O -","- C47 H35 N5 O -","- C188 H140 N20 O4 -","4","1","","Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong","Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.","Chemical science","2024","15","36","14651","14659","10.1039/d4sc03667k","","","1.54178","CuKα","","0.0492","0.0413","","","0.1055","0.1113","","","","","","1.034","","","","has coordinates","295184","2024-10-06","07:03:28",""
"1572252","11.487","0.004","16.971","0.004","22.1","0.006","70.281","0.019","86.57","0.02","84.97","0.02","4038","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(tetrahydrofuran)lithium tetrakis(o-tolyl)vanadate","","- C44 H59.5 Li O4 V -","- C44 H59.5 Li O4 V -","- C176 H238 Li4 O16 V4 -","4","2","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","1.54186","CuKα","","0.0899","0.0589","","","0.1615","0.1799","","","","","","1.019","","","","has coordinates,has disorder","294500","2024-09-06","00:00:05",""
"1572253","11.849","0.0002","11.849","0.0002","7.8931","0.0003","90","","90","","90","","1108.18","0.05","100","","100","","","","","","","","","3","P -4 21 c","P -4 2n","114","","tetra(o-tolyl)molybdenum","","- C28 H28 Mo -","- C28 H28 Mo -","- C56 H56 Mo2 -","2","0.25","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","","0.71073","MoKα","","0.0505","0.0365","","","0.0843","0.0917","","","","","","1.127","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572254","10.4242","0.0013","21.275","0.002","20.498","0.003","90","","104.574","0.01","90","","4399.7","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(12-crown-4)lithium tetrakis(trimethylsilylmethyl)aluminate","","- C32 H76 Al Li O8 Si4 -","- C32 H76 Al Li O8 Si4 -","- C128 H304 Al4 Li4 O32 Si16 -","4","1","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","1.54186","CuKα","","0.0463","0.0271","","","0.0584","0.0632","","","","","","0.892","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572255","10.4055","0.0002","21.3852","0.0003","20.4877","0.0004","90","","104.167","0.002","90","","4420.34","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(12-crown-4)lithium tetrakis(trimethylsilylmethyl)vanadate","","- C32 H76 Li O8 Si4 V -","- C32 H76 Li O8 Si4 V -","- C128 H304 Li4 O32 Si16 V4 -","4","1","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","0.71073","MoKα","","0.0438","0.0322","","","0.0787","0.0828","","","","","","1.058","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572256","11.461","0.006","16.903","0.011","22.031","0.01","70.41","0.04","86.22","0.04","85.05","0.05","4003","4","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(tetrahydrofuran)lithium tetrakis(o-tolyl)aluminate","","- C44 H60 Al Li O4 -","- C44 H60 Al Li O4 -","- C176 H240 Al4 Li4 O16 -","4","2","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","1.54186","CuKα","","0.0861","0.0432","","","0.0949","0.1026","","","","","","0.787","","","","has coordinates,has disorder","294500","2024-09-06","00:00:05",""
"1572257","12.8634","0.0003","23.6728","0.0007","8.7931","0.0003","90","","99.616","0.003","90","","2639.99","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(S)-(2,3,4,5,6-pentamethylphenyl)(2-phenyl-3-(4-phenylpiperazin-1-yl)cyclopent-1-en-1-yl)methanone","","- C33 H38 N2 O -","- C33 H38 N2 O -","- C132 H152 N8 O4 -","4","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0521","0.0457","","","0.1164","0.1222","","","","","","1.075","","","","has coordinates","295198","2024-10-06","07:11:46",""
"1572258","9.0547","0.0002","10.15893","0.00015","20.61","0.0003","103.784","0.0013","96.8936","0.0018","92.54","0.0016","1822.69","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(Z)-3-cyclopropyl-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-one","","- C46 H52 O2 -","- C46 H52 O2 -","- C92 H104 O4 -","2","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0518","0.0488","","","0.1357","0.1388","","","","","","1.054","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572259","8.03845","0.00007","13.58231","0.00012","16.53779","0.00014","90","","90","","90","","1805.61","0.03","100.4","0.9","100.4","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2,3,4,5,6-pentamethylphenyl)(2-phenylcyclopent-1-en-1-yl)methanone","","- C23 H26 O -","- C23 H26 O -","- C92 H104 O4 -","4","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0366","0.0361","","","0.0965","0.097","","","","","","1.027","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572260","16.63527","0.00013","10.0528","0.00009","21.90982","0.00017","90","","90","","90","","3664","0.05","99.99","0.1","99.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(S)-3-cyclopropyl-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropan-1-one","","- C23 H28 O -","- C23 H28 O -","- C184 H224 O8 -","8","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0474","0.0458","","","0.1261","0.1277","","","","","","1.05","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572261","14.2175","0.0007","14.873","0.0005","18.6528","0.0007","91.655","0.003","103.113","0.004","95.397","0.003","3819.3","0.3","99.95","0.13","99.95","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I La N2 -","- C86 H116 I La N2 -","- C172 H232 I2 La2 N4 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0619","0.0381","","","0.071","0.0804","","","","","","1.024","","","","has coordinates,has disorder","295169","2024-10-06","06:54:35",""
"1572262","22.4535","0.0003","16.0659","0.0002","20.2346","0.0002","90","","106.378","0.0013","90","","7003.14","0.15","99.97","0.1","99.97","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C78 H115 Eu N2 O1.5 -","- C78 H115 Eu N2 O1.5 -","- C312 H460 Eu4 N8 O6 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0422","0.0399","","","0.1034","0.1046","","","","","","1.063","","","","has coordinates,has disorder","295169","2024-10-06","06:54:43",""
"1572263","13.3508","0.0001","24.2551","0.0002","21.4353","0.0002","90","","96.728","0.001","90","","6893.48","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 N2 O Sm -","- C76 H110 N2 O Sm -","- C304 H440 N8 O4 Sm4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0454","0.0376","","","0.092","0.0954","","","","","","1.083","","","","has coordinates,has disorder","295169","2024-10-06","06:54:44",""
"1572264","13.2755","0.0002","24.2918","0.0003","21.4153","0.0003","90","","96.7512","0.0015","90","","6858.24","0.17","99.98","0.11","99.98","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 La N2 O -","- C76 H110 La N2 O -","- C304 H440 La4 N8 O4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0477","0.0451","","","0.1151","0.1164","","","","","","1.128","","","","has coordinates,has disorder","295169","2024-10-06","06:54:53",""
"1572265","13.8471","0.0003","15.1748","0.0003","19.2531","0.0003","90.1824","0.0014","110.29","0.0017","92.5177","0.0016","3790.18","0.13","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Tm -","- C86 H116 I N2 Tm -","- C172 H232 I2 N4 Tm2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0398","0.0373","","","0.1018","0.1033","","","","","","1.108","","","","has coordinates,has disorder","295169","2024-10-06","06:55:01",""
"1572266","18.0918","0.0003","16.7202","0.0003","23.1781","0.0004","90","","107.804","0.0019","90","","6675.6","0.2","100.01","0.13","100.01","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H110 N2 O Y -","- C76 H110 N2 O Y -","- C304 H440 N8 O4 Y4 -","4","0.5","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0349","0.033","","","0.0869","0.0879","","","","","","1.091","","","","has coordinates","295169","2024-10-06","06:55:02",""
"1572267","22.4353","0.0002","16.0693","0.0001","20.0264","0.0001","90","","106.494","0.001","90","","6922.81","0.09","99","6","99","6","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C78 H115 N2 O1.5 Yb -","- C78 H115 N2 O1.5 Yb -","- C312 H460 N8 O6 Yb4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0427","0.0413","","","0.1016","0.1022","","","","","","1.13","","","","has coordinates,has disorder","295169","2024-10-06","06:55:11",""
"1572268","12.8855","0.0003","13.5895","0.0004","20.8228","0.0004","75.703","0.002","89.2794","0.0016","62.71","0.002","3118.51","0.15","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C72 H100 N2 Sc -","- C72 H100 N2 Sc -","- C144 H200 N4 Sc2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1046","0.1063","","","","","","1.116","","","","has coordinates,has disorder","295169","2024-10-06","06:55:12",""
"1572269","13.7201","0.0003","15.2477","0.0004","19.153","0.0004","89.686","0.002","70.204","0.002","87.286","0.002","3765.56","0.16","100.01","0.13","100.01","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Sc -","- C86 H116 I N2 Sc -","- C172 H232 I2 N4 Sc2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0328","0.0319","","","0.0883","0.0889","","","","","","1.143","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572270","14.2996","0.0002","15.6187","0.0002","32.542","0.0005","90","","97.0977","0.0013","90","","7212.27","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H114 I La N2 -","- C78 H114 I La N2 -","- C312 H456 I4 La4 N8 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0442","0.0312","","","0.067","0.0705","","","","","","1.045","","","","has coordinates","295169","2024-10-06","06:55:14",""
"1572271","13.8601","0.0004","15.1451","0.0004","19.2635","0.0005","90.423","0.002","110.358","0.002","92.402","0.002","3786.7","0.18","100","0.8","100","0.8","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Y -","- C86 H116 I N2 Y -","- C172 H232 I2 N4 Y2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0663","0.0393","","","0.0807","0.0876","","","","","","1.007","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572272","11.91","0.0001","18.0916","0.0001","29.8982","0.0002","90","","95.943","0.001","90","","6407.57","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H100 N2 -","- C72 H100 N2 -","- C288 H400 N8 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.1081","0.0947","","","0.2741","0.2875","","","","","","1.063","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572273","13.1863","0.0002","24.2869","0.0003","21.3806","0.0003","90","","95.8291","0.0015","90","","6811.82","0.16","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 N2 O Tm -","- C76 H110 N2 O Tm -","- C304 H440 N8 O4 Tm4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0362","0.0318","","","0.0801","0.0823","","","","","","1.074","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572274","14.7959","0.0001","23.5264","0.0002","19.4313","0.0001","90","","97.291","0.001","90","","6709.23","0.08","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75 H107 I N2 Y -","- C75 H107 I N2 Y -","- C300 H428 I4 N8 Y4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0404","0.0355","","","0.0913","0.0935","","","","","","1.103","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572275","13.845","0.0003","15.1906","0.0003","19.2184","0.0003","90.204","0.0015","110.285","0.0016","92.515","0.0016","3786.81","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Yb -","- C86 H116 I N2 Yb -","- C172 H232 I2 N4 Yb2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0418","0.0295","","","0.0605","0.0637","","","","","","1.019","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572276","13.331","0.004","3.9432","0.0011","16.631","0.005","90","","108.334","0.007","90","","829.9","0.4","100.01","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 B2 Cl2 -","- C22 H14 B2 Cl2 -","- C44 H28 B4 Cl4 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.0947","0.0501","","","0.1177","0.1385","","","","","","1.018","","","","has coordinates","295193","2024-10-06","07:09:59",""
"1572277","12.3947","0.0008","12.5964","0.0008","19.1553","0.0012","79.135","0.002","72.923","0.002","89.308","0.002","2804.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","FBP-sIPr cation BARF","","","- C110 H82 B4 Cl4 F47.95 N4 -","- C110 H82 B4 Cl4 F47.952 N4 -","- C110 H82 B4 Cl4 F47.952 N4 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.0625","0.0529","","","0.1393","0.1492","","","","","","1.035","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572278","11.2159","0.0011","11.9173","0.0012","15.0102","0.0016","90","","90.326","0.003","90","","2006.3","0.4","99.98","","99.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B2 Cl2 N4 -","- C44 H54 B2 Cl2 N4 -","- C88 H108 B4 Cl4 N8 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","","0.0536","0.0386","","","0.0958","0.1038","","","","","","1.028","","","","has coordinates","295193","2024-10-06","07:10:00",""
"1572279","14.964","0.0006","11.9337","0.0005","21.9364","0.0009","90","","101.645","0.003","90","","3836.7","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 B2 Cl4 F12 N4 O8 S4 -","- C72 H88 B2 Cl4 F12 N4 O8 S4 -","- C144 H176 B4 Cl8 F24 N8 O16 S8 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","1.54178","CuKα","","0.1015","0.0625","","","0.1482","0.1706","","","","","","1.023","","","","has coordinates","295193","2024-10-06","07:10:00",""
"1572280","10.1202","0.0005","17.0454","0.0008","19.6957","0.0011","95.587","0.004","96.221","0.004","90.244","0.004","3361.1","0.3","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","WJS-5","","","- C159 H180 B4 Cl4 N8 -","- C159 H180 B4 Cl4 N8 -","- C159 H180 B4 Cl4 N8 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","1.54178","CuKα","","0.0913","0.0561","","","0.1306","0.1507","","","","","","1.008","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572281","24.7297","0.0012","18.7599","0.0008","15.6595","0.0007","90","","97.779","0.002","90","","7198","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H58 B Cl N O2 -","- C41 H58 B Cl N O2 -","- C328 H464 B8 Cl8 N8 O16 -","8","1","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","K-L~3~","0.0825","0.0611","","","0.1666","0.1917","","","","","","1.05","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572282","11.0428","0.0005","16.5514","0.0008","19.2623","0.0008","77.797","0.002","84.084","0.002","73.633","0.002","3298.1","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C140 H114 B4 F48 N8 O2 -","- C139.998 H114 B4 F47.994 N8 O2 -","- C139.998 H114 B4 F47.994 N8 O2 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.1138","0.0629","","","0.1383","0.1654","","","","","","0.947","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572283","16.7454","0.0005","27.4896","0.0009","21.7003","0.0006","90","","112.131","0.001","90","","9253.2","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","FBP-IPr2+ NTF2","","","- C83.99 H94 B2 Cl8 F11.99 N6 O7.99 S3.99 -","- C83.99 H94 B2 Cl8 F11.97 N5.995 O7.98 S3.99 -","- C335.96 H376 B8 Cl32 F47.88 N23.98 O31.92 S15.96 -","4","1","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.1056","0.0677","","","0.1661","0.1908","","","","","","1.03","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572284","12.5802","0.0015","13.142","0.0016","19.744","0.002","85.418","0.002","79.658","0.002","73.127","0.002","3071.6","0.6","100.03","","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H54 B2 F24.01 N -","- C65 H54 B2 F24.003 N -","- C130 H108 B4 F48.006 N2 -","2","1","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","K-L~3~","0.0858","0.0516","","","0.1239","0.144","","","","","","1.021","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572285","13.601","0.003","23.955","0.006","21.06","0.004","90","","96.006","0.006","90","","6824","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FBP-IPr dication BARF","","","- C142 H114 B4 Cl4 F48.03 N4 -","- C142 H114 B4 Cl4 F47.988 N4 -","- C284 H228 B8 Cl8 F95.976 N8 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.1282","0.064","","","0.1207","0.143","","","","","","1.008","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572286","8.9168","0.0004","9.3168","0.0004","18.6398","0.0007","96.753","0.001","92.366","0.001","95.831","0.001","1527.6","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H58 B2 Cl4 F12 N8 O8 S4 -","- C50 H58 B2 Cl4 F12 N8 O8 S4 -","- C50 H58 B2 Cl4 F12 N8 O8 S4 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","","0.087","0.0809","","","0.2826","0.2909","","","","","","2.583","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572287","13.2079","0.0005","15.4895","0.0006","19.1541","0.0006","80.403","0.001","84.517","0.001","72.088","0.001","3672.4","0.2","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C163 H104 B4 Cl6 F48 P4 -","- C163 H104 B4 Cl6 F48 P4 -","- C163 H104 B4 Cl6 F48 P4 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","","0.0546","0.0473","","","0.1283","0.1342","","","","","","1.0424","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572301","6.0617","0.0002","11.9065","0.0003","14.3836","0.0004","113.136","0.001","99.6","0.001","90.492","0.001","938.11","0.05","150","","150","","","","","","","","","3","P -1","-P 1","2","","(Z)-(4-benzylidene-2-oxabicyclo[4.1.1]octan-6-yl)(naphthalen-2-yl)methanone","","- C25 H22 O2 -","- C25 H22 O2 -","- C50 H44 O4 -","2","1","","Gao, Xin-Yu; Tang, Lei; Zhang, Xu; Feng, Jian-Jun","Palladium-catalyzed decarboxylative (4 + 3) cycloadditions of bicyclobutanes with 2-alkylidenetrimethylene carbonates for the synthesis of 2-oxabicyclo[4.1.1]octanes.","Chemical science","2024","15","34","13942","13948","10.1039/d4sc02998d","","","1.54178","CuKα","","0.0517","0.0355","","","0.093","0.0958","","","","","","1.074","","","","has coordinates","294491","2024-09-05","23:57:25",""
"1572302","16.6654","0.0017","38.187","0.004","29.129","0.003","90","","93.15","0.007","90","","18510","3","193","","193","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","I 1 2/a 1","-I 2ya","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C68 H36 N6 O4 -","- C68 H36 N6 O4 -","- C816 H432 N72 O48 -","12","1.5","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","x-ray","1.34139","GaKα","","0.2026","0.1469","","","0.3193","0.3485","","","","","","1.163","","","","has coordinates","295197","2024-10-06","07:11:27",""
"1572303","11.685","0.003","30.037","0.008","16.64","0.004","90","","109.381","0.008","90","","5509","2","150","","150","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","C 1 2/c 1","-C 2yc","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C68 H36 N6 O4 -","- C68 H36 N6 O4 -","- C272 H144 N24 O16 -","4","0.5","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","","1.34139","GaKα","","0.0882","0.0636","","","0.1858","0.2019","","","","","","1.073","","","","has coordinates","295197","2024-10-06","07:11:29",""
"1572304","11.6021","0.0019","30.046","0.004","16.575","0.002","90","","108.819","0.009","90","","5469.1","1.4","193","","193","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","C 1 2/c 1","-C 2yc","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C70 H40 N6 O4 -","- C70 H40 N6 O4 -","- C280 H160 N24 O16 -","4","0.5","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","x-ray","1.34139","GaKα","","0.174","0.1105","","","0.2831","0.3232","","","","","","1.053","","","","has coordinates,has disorder","295197","2024-10-06","07:11:29",""
"1572305","11.729","0.003","30.677","0.009","16.645","0.004","90","","109.751","0.01","90","","5637","3","275","","275","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","C 1 2/c 1","-C 2yc","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C143 H86 N12 O8 -","- C143 H86 N12 O8 -","- C286 H172 N24 O16 -","2","0.25","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","x-ray","1.34139","GaKα","","0.1183","0.0942","","","0.2587","0.2843","","","","","","1.013","","","","has coordinates,has disorder","295197","2024-10-06","07:11:29",""
"1572309","11.1573","0.0005","15.764","0.0009","20.1788","0.001","77.015","0.005","77.796","0.004","81.704","0.004","3362.7","0.3","150.01","0.19","150.01","0.19","","","","","","","","6","P -1","-P 1","2","","","","- C39 H17 B F10 N2 O2 -","- C39 H17 B F10 N2 O2 -","- C156 H68 B4 F40 N8 O8 -","4","2","","Cao, Yangyang; Xu, Zhenzhen; Zhao, Xinyuqi; Yang, Yong; Liu, Haoran; Wang, Pingyang; Yu, Miao; Li, Hao; Fu, Hongbing","Reversible switching from fluorescence to room temperature phosphorescence amplified by exciton-vibration coupling through pressure-induced tiny packing changes.","Chemical science","2024","15","34","13930","13936","10.1039/d4sc02867h","","x-ray","0.71073","MoKα","","0.0655","0.0449","","","0.1017","0.115","","","","","","1.024","","","","has coordinates","294498","2024-09-05","23:58:59",""
"1572310","10.9213","0.0003","15.6626","0.0004","20.1705","0.0006","77.832","0.002","78.451","0.002","82.208","0.002","3288.74","0.16","99.9","0.3","99.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C39 H17 B F10 N2 O2 -","- C39 H17 B F10 N2 O2 -","- C156 H68 B4 F40 N8 O8 -","4","2","","Cao, Yangyang; Xu, Zhenzhen; Zhao, Xinyuqi; Yang, Yong; Liu, Haoran; Wang, Pingyang; Yu, Miao; Li, Hao; Fu, Hongbing","Reversible switching from fluorescence to room temperature phosphorescence amplified by exciton-vibration coupling through pressure-induced tiny packing changes.","Chemical science","2024","15","34","13930","13936","10.1039/d4sc02867h","","x-ray","1.54184","CuKα","","0.1162","0.1055","","","0.2766","0.2805","","","","","","1.1","","","","has coordinates","294498","2024-09-05","23:58:59",""
"1572319","12.3035","0.0004","23.9565","0.0005","12.4053","0.0004","90","","118.757","0.004","90","","3205.5","0.2","100","","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H37 B K3 N6 O57 P2 W11 -","- C18 H29 B K3 N6 O53 P2 W11 -","- C36 H58 B2 K6 N12 O106 P4 W22 -","2","1","","Tsang, Nicole; Kibler, Alexander J.; Argent, Stephen P.; Lam, Hon Wai; Jones, Kieran D.; Newton, Graham N.","Organofunctionalized borotungstate polyoxometalates as tunable photocatalysts for oxidative dimerization of amines.","Chemical science","2024","15","36","14685","14691","10.1039/d4sc03534h","","x-ray","0.6889","synchrotron","","0.051","0.0498","","","0.1167","0.1175","","","","","","1.044","","","","has coordinates,has disorder","295185","2024-10-06","07:03:53",""
"1572320","12.186","","23.1617","0.0001","23.1375","0.0001","90","","97.73","","90","","6471.18","0.04","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18.88 H33.89 As1.98 B K3 N7 O55.99 W11.01 -","- C18.928 H31.928 As1.976 B K3 N7 O55.737 W11.012 -","- C75.712 H127.712 As7.904 B4 K12 N28 O222.948 W44.048 -","4","1","","Tsang, Nicole; Kibler, Alexander J.; Argent, Stephen P.; Lam, Hon Wai; Jones, Kieran D.; Newton, Graham N.","Organofunctionalized borotungstate polyoxometalates as tunable photocatalysts for oxidative dimerization of amines.","Chemical science","2024","15","36","14685","14691","10.1039/d4sc03534h","","","0.6889","Synchrotron","","0.0443","0.0354","","","0.0746","0.0768","","","","","","1.077","","","","has coordinates,has disorder","295185","2024-10-06","07:03:55",""
"1572321","13.9123","0.0013","14.8656","0.0013","13.084","0.001","90","","90","","90","","2706","0.4","123.15","","123.15","","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C56 H58 Br Cl6 Li N6 O4 -","- C56 H57 Br Cl6 Li N6 O4 -","- C112 H114 Br2 Cl12 Li2 N12 O8 -","2","0.5","","Heo, Nam Jung; Oh, Ju Hyun; Li, Aimin; Lee, Kyounghoon; He, Qing; Sessler, Jonathan L.; Kim, Sung Kuk","Ion pair extractant selective for LiCl and LiBr.","Chemical science","2024","15","34","13958","13965","10.1039/d4sc03760j","","","0.71073","MoKα","","0.0909","0.0681","","","0.171","0.1889","","","","","","1.027","","","","has coordinates,has disorder","294499","2024-09-05","23:59:08",""
"1572322","9.5403","0.0004","9.8557","0.0006","12.1971","0.0004","97.044","0.004","108.604","0.004","101.577","0.004","1043.07","0.09","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H32 B Bi N2 Si2 -","- C13 H32 B Bi N2 Si2 -","- C26 H64 B2 Bi2 N4 Si4 -","2","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","x-ray","1.54184","CuKα","","0.0377","0.035","","","0.0891","0.0919","","","","","","1.05","","","","has coordinates","295179","2024-10-06","07:00:14",""
"1572323","19.3792","0.0003","19.2881","0.0002","20.2475","0.0002","90","","90","","90","","7568.27","0.16","122.99","0.1","122.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H56 Bi Ga N2 Si2 -","- C33 H56 Bi Ga N2 Si2 -","- C264 H448 Bi8 Ga8 N16 Si16 -","8","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","x-ray","1.54184","CuKα","","0.0343","0.0323","","","0.0916","0.0929","","","","","","1.071","","","","has coordinates","295179","2024-10-06","07:00:15",""
"1572324","18.0837","0.0003","10.2928","0.0002","40.2707","0.0012","90","","91.9","0.002","90","","7491.5","0.3","123.01","0.1","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 B Bi N2 Si2 -","- C33 H56 B Bi N2 Si2 -","- C264 H448 B8 Bi8 N16 Si16 -","8","2","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","","0.71073","MoKα","","0.0436","0.0362","","","0.0679","0.0696","","","","","","1.168","","","","has coordinates,has disorder","295179","2024-10-06","07:00:15",""
"1572325","7.3161","0.0002","9.8444","0.0002","15.3209","0.0003","90.63","0.001","103.624","0.002","103.085","0.002","1042.14","0.04","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H30 B Bi N2 Si2 -","- C13 H30 B Bi N2 Si2 -","- C26 H60 B2 Bi2 N4 Si4 -","2","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","","1.54178","CuKα","","0.0221","0.0202","","","0.0526","0.0532","","","","","","1.09","","","","has coordinates","295179","2024-10-06","07:00:15",""
"1572326","6.4446","0.0002","8.9992","0.0006","11.3593","0.0004","99.016","0.004","92.137","0.003","109.139","0.005","611.91","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 Br2 N4 -","- C28 H30 Br2 N4 -","- C28 H30 Br2 N4 -","1","0.5","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0398","0.0383","","","0.1227","0.1232","","","","","","1.154","","","","has coordinates","295194","2024-10-06","07:10:44",""
"1572327","23.6941","0.0011","14.3036","0.0007","27.0164","0.0013","90","","101.598","0.004","90","","8969.2","0.8","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C44.1 H49.89 Br3 N6 -","- C44.097 H49.893 Br3 N6 -","- C352.776 H399.144 Br24 N48 -","8","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.1507","0.0942","","","0.2224","0.2449","","","","","","1.027","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572328","16.345","0.0007","17.4893","0.0006","26.7421","0.0011","90","","90","","90","","7644.6","0.5","100.01","0.11","100.01","0.11","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C76 H100 Br4 N8 O10 -","- C76 H100 Br4 N8 O10 -","- C304 H400 Br16 N32 O40 -","4","0.5","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.1112","0.0751","","","0.1911","0.209","","","","","","1.04","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572329","31.5459","0.0017","14.3588","0.0003","23.7813","0.0012","90","","123.99","0.008","90","","8931.5","1.1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.95 H46.9 Br3 Cl1.9 N6 -","- C42.95 H46.9 Br3 Cl1.9 N6 -","- C343.6 H375.2 Br24 Cl15.2 N48 -","8","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.1053","0.0661","","","0.15","0.1653","","","","","","1.086","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572330","14.8232","0.0007","19.6544","0.001","14.9442","0.0007","90","","92.335","0.002","90","","4350.2","0.4","149.99","","149.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43.24 H49.97 Br3 N6 O1.25 -","- C43.244 H49.976 Br3 N6 O1.244 -","- C172.976 H199.904 Br12 N24 O4.976 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","","0.71073","MoKα","","0.082","0.0546","","","0.1073","0.1204","","","","","","1.04","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572331","11.0041","0.0002","14.3125","0.0002","15.5247","0.0003","90","","109.692","0.002","90","","2302.09","0.07","100.01","0.11","100.01","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H52.65 Br3 N6 -","- C49 H52.65 Br3 N6 -","- C98 H105.3 Br6 N12 -","2","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0353","0.0303","","","0.0622","0.0634","","","","","","1.024","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572332","14.8142","0.0003","19.7153","0.0004","14.9459","0.0003","90","","92.298","0.002","90","","4361.68","0.15","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43.26 H50.05 Br3 N6 O1.26 -","- C43.262 H50.048 Br3 N6 O1.262 -","- C173.048 H200.192 Br12 N24 O5.048 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0765","0.0467","","","0.0996","0.109","","","","","","1.007","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572333","11.0644","0.0002","14.2714","0.0002","15.6724","0.0003","90","","109.809","0.002","90","","2328.31","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H55 Br3 N6 -","- C50 H55 Br3 N6 -","- C100 H110 Br6 N12 -","2","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.032","0.0271","","","0.0529","0.0541","","","","","","1.038","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572334","14.5723","0.0003","18.9659","0.0003","14.9238","0.0002","90","","91.908","0.001","90","","4122.31","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H45 Br3 N6 -","- C42 H45 Br3 N6 -","- C168 H180 Br12 N24 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.089","0.0755","","","0.1757","0.1829","","","","","","1.066","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572335","12.559","0.0004","23.3781","0.0006","16.2798","0.0005","90","","102.547","0.003","90","","4665.7","0.2","100.01","0.13","100.01","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Br3 N6 O2.29 -","- C42 H48 Br3 N6 O2.285 -","- C168 H192 Br12 N24 O9.14 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0763","0.0543","","","0.1315","0.1406","","","","","","1.051","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572336","14.3243","0.001","11.4688","0.0007","8.7762","0.0008","90","","90","","90","","1441.78","0.19","180","2","180","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 Br O4 -","- C16 H11 Br O4 -","- C64 H44 Br4 O16 -","4","1","","Winter, Alena; Hamdi, Farzad; Eichhöfer, Andreas; Saalwächter, Kay; Kastritis, Panagiotis L.; Haase, Frederik","Enhancing structural control in covalent organic frameworks through steric interaction-driven linker design.","Chemical science","2024","15","35","14449","14457","10.1039/d4sc03461a","","x-ray","1.34143","GaKα","GaKα","0.0485","0.0383","","","0.0973","0.102","","","","","","1.031","","","","has coordinates","295199","2024-10-06","07:11:55",""
"1572337","9.9945","0.0016","10.1084","0.0012","11.4916","0.0015","82.539","0.01","73.454","0.011","76.36","0.011","1079.1","0.3","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C56 H44 N4 O4 -","2","1","","Winter, Alena; Hamdi, Farzad; Eichhöfer, Andreas; Saalwächter, Kay; Kastritis, Panagiotis L.; Haase, Frederik","Enhancing structural control in covalent organic frameworks through steric interaction-driven linker design.","Chemical science","2024","15","35","14449","14457","10.1039/d4sc03461a","","x-ray","0.71073","MoKα","","0.1826","0.1171","","","0.2769","0.3287","","","","","","0.973","","","","has coordinates","295199","2024-10-06","07:11:56",""
"1572338","12.74441","0.00007","14.35189","0.00009","14.07101","0.00007","90","","94.028","0.0005","90","","2567.32","0.02","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 K2 O8 Zn2 -","- C44 H78 K2 O8 Zn2 -","- C88 H156 K4 O16 Zn4 -","2","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.029","0.0286","","","0.0784","0.0788","","","","","","1.049","","","","has coordinates,has disorder","295180","2024-10-06","07:00:48",""
"1572339","18.2697","0.0003","17.0018","0.0003","20.8902","0.0003","90","","112.777","0.0018","90","","5982.85","0.19","173.01","0.1","173.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H82 K2 O8 Zn2 -","- C52 H82 K2 O8 Zn2 -","- C208 H328 K8 O32 Zn8 -","4","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0691","0.0625","","","0.1977","0.2066","","","","","","1.062","","","","has coordinates","295180","2024-10-06","07:00:50",""
"1572340","18.3733","0.0003","15.7455","0.0003","18.5165","0.0003","90","","90","","90","","5356.76","0.16","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H76 K2 N2 O10 Zn2 -","- C46 H76 K2 N2 O10 Zn2 -","- C184 H304 K8 N8 O40 Zn8 -","4","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0525","0.0473","","","0.1317","0.1367","","","","","","1.077","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572341","10.92429","0.00016","11.04872","0.00016","13.15156","0.00019","112.469","0.0014","92.8879","0.0012","107.798","0.0013","1371.22","0.04","173.01","0.1","173.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H92 K2 N6 O4 Zn2 -","- C42 H92 K2 N6 O4 Zn2 -","- C42 H92 K2 N6 O4 Zn2 -","1","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0215","0.0213","","","0.0562","0.0564","","","","","","1.074","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572342","15.08965","0.00017","26.6881","0.0003","18.63986","0.00019","90","","102.261","0.001","90","","7335.32","0.14","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 K2 O4 Zn -","- C34 H56 K2 O4 Zn -","- C272 H448 K16 O32 Zn8 -","8","2","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","0.71073","MoKα","","0.0691","0.0475","","","0.1172","0.1269","","","","","","1.015","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572343","45.143","0.003","10.329","0.0004","25.339","0.0007","90","","98.908","0.004","90","","11672.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53.98 H79.93 N2 O9 -","- C54.012 H81.048 N2 O9 -","- C432.096 H648.384 N16 O72 -","8","1","","Li, Anquan; Du, Zhenglin; Zhang, Shilong; Xie, Jialin; Li, Xia; Chen, Qing; Tang, Yisong; Chen, Jiawen; Zhu, Kelong","A compact chemically driven [2]catenane rotary motor operated through alternate pumping and discharging.","Chemical science","2024","15","36","14721","14725","10.1039/d4sc04292a","","","1.54178","CuKα","","0.1137","0.0862","","","0.2221","0.2444","","","","","","1.03","","","","has coordinates,has disorder","295183","2024-10-06","07:03:03",""
"1572344","9.6885","0.0006","16.4051","0.0011","29.993","0.002","90","","96.342","0.002","90","","4737.9","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LAQ-X","","- C184 H276 B4 F16 N8 O28 -","- C184 H276 B4 F16 N8 O28 -","- C184 H276 B4 F16 N8 O28 -","1","0.25","","Li, Anquan; Du, Zhenglin; Zhang, Shilong; Xie, Jialin; Li, Xia; Chen, Qing; Tang, Yisong; Chen, Jiawen; Zhu, Kelong","A compact chemically driven [2]catenane rotary motor operated through alternate pumping and discharging.","Chemical science","2024","15","36","14721","14725","10.1039/d4sc04292a","","","0.71073","MoKα","","0.1372","0.081","","","0.2045","0.2438","","","","","","1.034","","","","has coordinates","295183","2024-10-06","07:03:05",""
"1572345","19.6838","0.0004","10.2976","0.0002","6.7242","0.0002","90","","94.821","0.002","90","","1358.15","0.06","240","","240","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0775","0.0765","","","0.173","0.1732","","","","","","1.184","","","","has coordinates,has disorder","295191","2024-10-06","07:07:01",""
"1572346","19.6862","0.0009","10.2795","0.0005","6.6908","0.0003","90","","94.908","0.004","90","","1349.01","0.11","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0912","0.0883","","","0.1966","0.1976","","","","","","1.244","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572347","19.6881","0.0009","10.2653","0.0004","6.6697","0.0003","90","","94.868","0.004","90","","1343.11","0.1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.097","0.0943","","","0.2113","0.2122","","","","","","1.206","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572348","19.8227","0.0006","10.2337","0.0003","6.6671","0.0002","90","","94.869","0.003","90","","1347.6","0.07","240","","240","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0671","0.0644","","","0.1452","0.1462","","","","","","1.13","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572349","19.8302","0.0014","10.2203","0.0005","6.6472","0.0004","90","","94.829","0.006","90","","1342.41","0.14","210","","210","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0729","0.0678","","","0.1503","0.1521","","","","","","1.116","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572350","19.6749","0.0007","10.2964","0.0004","6.7069","0.0002","90","","94.967","0.003","90","","1353.59","0.08","210","","210","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0864","0.084","","","0.1898","0.1905","","","","","","1.213","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572351","19.8291","0.0014","10.1978","0.0007","6.5967","0.0004","90","","94.736","0.007","90","","1329.39","0.15","130","","130","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0908","0.0852","","","0.2055","0.208","","","","","","1.104","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572352","19.6899","0.0011","10.2547","0.0005","6.6369","0.0003","90","","94.829","0.005","90","","1335.33","0.12","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.1117","0.1091","","","0.2349","0.2357","","","","","","1.191","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572353","19.8515","0.0006","10.2075","0.0003","6.5701","0.0002","90","","94.71","0.003","90","","1326.83","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0814","0.079","","","0.1568","0.1576","","","","","","1.118","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572354","19.8126","0.0014","10.2058","0.0008","6.607","0.0004","90","","94.742","0.007","90","","1331.39","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.099","0.0828","","","0.229","0.2385","","","","","","1.088","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572355","19.8407","0.0012","10.2132","0.0006","6.6271","0.0004","90","","94.798","0.005","90","","1338.19","0.14","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0789","0.074","","","0.1702","0.1722","","","","","","1.076","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572356","19.6867","0.0009","10.2626","0.0004","6.6569","0.0003","90","","94.892","0.004","90","","1340.04","0.1","130","","130","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.1005","0.0982","","","0.2182","0.2189","","","","","","1.22","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572360","13.0272","0.0012","12.4547","0.0008","14.7177","0.0013","90","","114.829","0.011","90","","2167.2","0.4","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 S -","- C26 H19 N5 S -","- C104 H76 N20 S4 -","4","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","0.71073","MoKα","","0.0698","0.0477","","","0.0965","0.1086","","","","","","1.02","","","","has coordinates","295175","2024-10-06","06:57:44",""
"1572361","8.806","0.0005","9.4077","0.0005","11.8916","0.0006","109.261","0.005","101.174","0.004","101.954","0.004","872.43","0.09","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N6 S -","- C20 H16 N6 S -","- C40 H32 N12 S2 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","1.54184","CuKα","","0.0466","0.0446","","","0.1213","0.1244","","","","","","1.048","","","","has coordinates","295175","2024-10-06","06:57:45",""
"1572362","7.5694","0.0005","8.978","0.0007","18.7562","0.0013","83.796","0.006","89.902","0.006","65.641","0.007","1153.07","0.16","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N7 S -","- C27 H21 N7 S -","- C54 H42 N14 S2 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","0.71073","MoKα","","0.0599","0.0464","","","0.1024","0.1113","","","","","","1.037","","","","has coordinates","295175","2024-10-06","06:57:45",""
"1572363","7.6716","0.0004","11.4509","0.0007","15.5455","0.001","102.548","0.005","98.148","0.004","103.294","0.005","1270.6","0.14","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Cl3 N5 O4 -","- C27 H20 Cl3 N5 O4 -","- C54 H40 Cl6 N10 O8 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","1.54184","CuKα","","0.0768","0.0566","","","0.1289","0.1444","","","","","","1.054","","","","has coordinates,has disorder","295175","2024-10-06","06:57:45",""
"1572364","12.7994","0.0005","13.045","0.0005","13.6798","0.0006","100.07","0.002","99.897","0.002","103.258","0.002","2134.75","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H40 N12 O2 S2 Zn -","- C43 H40 N12 O2 S2 Zn -","- C86 H80 N24 O4 S4 Zn2 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","1.54184","CuKα","","0.0501","0.0462","","","0.1285","0.1319","","","","","","1.05","","","","has coordinates","295175","2024-10-06","06:57:45",""
"1572374","10.0029","0.0011","7.3514","0.0005","10.4776","0.0007","90","","102.8","0.007","90","","751.33","0.11","299.15","","299.15","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C2 H9 N3 O3 S -","- C2 H9 N3 O3 S -","- C8 H36 N12 O12 S4 -","4","0.5","","Li, Yang; Chen, Xinglong; Ok, Kang Min","Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties.","Chemical science","2024","15","37","15145","15151","10.1039/d4sc04155k","","","0.71073","MoKα","","0.0775","0.068","","","0.1391","0.143","","","","","","1.2","","","","has coordinates","295165","2024-10-06","06:52:42",""
"1572375","14.3095","0.0003","29.8265","0.0006","32.5209","0.0005","105.679","0.002","94.669","0.002","100.24","0.002","13027.4","0.5","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C720 H320 N80 O4 -","- C720 H320 N80 O4 -","- C720 H320 N80 O4 -","1","0.5","","Shao, Gang; Liu, Yuan-Yuan; Niu, Chuang; Yin, Zheng-Chun; Ye, Shi-Qi; Yao, Yang-Rong; Chen, Muqing; Chen, Jun-Shen; Xia, Xu-Ling; Yang, Shangfeng; Wang, Guan-Wu","Unexpected and divergent mechanosynthesis of furanoid-bridged fullerene dimers C<sub>120</sub>O and C<sub>120</sub>O<sub>2</sub>.","Chemical science","2024","15","36","14899","14904","10.1039/d4sc04167d","","x-ray","1.54184","CuKα","","0.105","0.0839","","","0.2327","0.2603","","","","","","0.844","","","","has coordinates,has disorder","295181","2024-10-06","07:01:19",""
"1572376","14.2723","0.0004","29.9136","0.001","32.5999","0.001","105.97","0.003","94.818","0.002","100.16","0.003","13041.3","0.7","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C720 H320 N80 O2 -","- C720 H320 N80 O2 -","- C720 H320 N80 O2 -","1","0.5","","Shao, Gang; Liu, Yuan-Yuan; Niu, Chuang; Yin, Zheng-Chun; Ye, Shi-Qi; Yao, Yang-Rong; Chen, Muqing; Chen, Jun-Shen; Xia, Xu-Ling; Yang, Shangfeng; Wang, Guan-Wu","Unexpected and divergent mechanosynthesis of furanoid-bridged fullerene dimers C<sub>120</sub>O and C<sub>120</sub>O<sub>2</sub>.","Chemical science","2024","15","36","14899","14904","10.1039/d4sc04167d","","x-ray","1.54184","CuKα","","0.1376","0.0778","","","0.1744","0.2167","","","","","","0.984","","","","has coordinates,has disorder","295181","2024-10-06","07:01:19",""
"1572378","6.0431","0.0002","26.5905","0.0008","11.6793","0.0003","90","","101.772","0.001","90","","1837.26","0.09","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","","Hussein, Burhan A.; Maturi, William; Rylands, Mary Kate; Bismillah, Aisha N.; Wen, Yuzhen; Aguilar, Juan A.; Ayub, Rabia; Rankine, Conor D.; McGonigal, Paul R.","Correlated shapeshifting and configurational isomerization.","Chemical science","2024","15","36","14618","14624","10.1039/d4sc03699a","","x-ray","1.54178","CuKα","","0.0343","0.0333","","","0.0763","0.077","","","","","","1.025","","","","has coordinates","295187","2024-10-06","07:04:36",""
"1572379","22.6288","0.0006","14.0186","0.0004","17.8883","0.0005","90","","104.328","0.001","90","","5498.1","0.3","99.23","","99.23","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H53 Cl2 N3 O12 -","- C52 H53 Cl2 N3 O12 -","- C208 H212 Cl8 N12 O48 -","4","0.5","","Lu, Yu; Wang, Song-Meng; He, Sui-Sui; Huang, Qicheng; Zhao, Cheng-Da; Yu, Shan; Jiang, Wei; Yao, Huan; Wang, Li-Li; Yang, Liu-Pan","An <i>endo</i>-functionalized molecular cage for selective potentiometric determination of creatinine.","Chemical science","2024","15","36","14791","14797","10.1039/d4sc04950k","","","1.54178","CuKα","","0.0735","0.0613","","","0.1531","0.1615","","","","","","1.082","","","","has coordinates,has disorder","295186","2024-10-06","07:04:18",""
"1572380","22.161","0.002","14.1881","0.0013","17.9966","0.0017","90","","102.595","0.003","90","","5522.4","0.9","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C57 H60 Cl6 O12 -","- C57 H60 Cl6 O12 -","- C228 H240 Cl24 O48 -","4","0.5","","Lu, Yu; Wang, Song-Meng; He, Sui-Sui; Huang, Qicheng; Zhao, Cheng-Da; Yu, Shan; Jiang, Wei; Yao, Huan; Wang, Li-Li; Yang, Liu-Pan","An <i>endo</i>-functionalized molecular cage for selective potentiometric determination of creatinine.","Chemical science","2024","15","36","14791","14797","10.1039/d4sc04950k","","x-ray","1.34139","GaKα","","0.0478","0.0426","","","0.116","0.1204","","","","","","1.061","","","","has coordinates","295186","2024-10-06","07:04:19",""
"1572381","16.193","0.002","34.224","0.005","38.997","0.005","72.855","0.004","84.982","0.003","83.671","0.002","20491","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C204 H480 Ag66 O68 P34 Rh4 S68 -","- C204 H480 Ag66 O68 P34 Rh4 S68 -","- C408 H960 Ag132 O136 P68 Rh8 S136 -","2","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.","Chemical science","2024","15","36","14660","14667","10.1039/d4sc02920h","","","0.71073","MoKα","","0.1174","0.0666","","","0.1254","0.1519","","","","","","1.103","","","","has coordinates,has disorder","295188","2024-10-06","07:05:15",""
"1572382","44.382","0.007","17.68","0.003","28.939","0.004","90","","111.569","0.005","90","","21118","6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C408 H952 Ag132 O136 P68 Pt8 S136 -","4","0.5","","Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.","Chemical science","2024","15","36","14660","14667","10.1039/d4sc02920h","","","0.71073","MoKα","","0.0448","0.0364","","","0.0733","0.0811","","","","","","1.113","","","","has coordinates,has disorder","295188","2024-10-06","07:05:16",""
"1572383","19.4846","0.0011","20.7482","0.0012","30.0519","0.0017","98.0114","0.0014","102.16","0.0014","116.039","0.0013","10292.6","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H239 Ag32 O34 P17 Pt2 S34 -","- C102 H239 Ag32 O34 P17 Pt2 S34 -","- C204 H478 Ag64 O68 P34 Pt4 S68 -","2","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.","Chemical science","2024","15","36","14660","14667","10.1039/d4sc02920h","","","0.71073","MoKα","","0.0802","0.0555","","","0.1333","0.1511","","","","","","1.032","","","","has coordinates,has disorder","295188","2024-10-06","07:05:16",""
"1572384","10.33817","0.00007","10.45428","0.00008","14.51868","0.0001","90","","90","","90","","1569.15","0.019","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Liu, Shuxuan; Zhang, Chaoshen; Han, Zhengyu; Huang, Hai; Sun, Jianwei","Organocatalytic enantio- and diastereoselective assembly of cyclopropane-incorporated polycyclic molecules <i>via</i> isobenzopyrylium ions.","Chemical science","2024","15","37","15274","15279","10.1039/d4sc03746d","","x-ray","1.54184","CuKα","","0.0273","0.0258","","","0.072","0.0865","","","","","","1.174","","","","has coordinates","295177","2024-10-06","06:58:01",""
"1572399","8.5595","0.0002","18.0868","0.0004","18.9345","0.0004","90","","99.522","0.007","90","","2890.94","0.13","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 B Cl5 F N2 O -","- C28 H33 B Cl5 F N2 O -","- C112 H132 B4 Cl20 F4 N8 O4 -","4","1","","Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor","Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.","Chemical science","2024","15","38","15679","15689","10.1039/d4sc00925h","","","0.71075","MoKα","","0.0536","0.0509","","","0.1165","0.118","","","","","","1.195","","","","has coordinates,has disorder","295205","2024-10-06","07:13:30",""
"1572400","10.208","0.002","17.008","0.003","20.085","0.004","90","","91.581","0.006","90","","3485.8","1.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","asymmetrically halogenated triaryl borane structure hydridecomplex","(2-chloro-6-fluorophenyl)bis(2,6-dichlorophenyl)(hydroxy)borate + piperidin-1-ium, +2 piperidine","","- C29 H31 B Cl5 F N2.2 O -","- C29 H31 B Cl5 F N2.2 O -","- C116 H124 B4 Cl20 F4 N8.8 O4 -","4","1","","Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor","Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.","Chemical science","2024","15","38","15679","15689","10.1039/d4sc00925h","","","0.71075","MoKα","","0.1705","0.1116","","","0.2789","0.3163","","","","","","0.994","","","","has coordinates","295205","2024-10-06","07:13:31",""
"1572401","16.53","0.0003","5.9431","0.0001","20.4998","0.0004","90","","110.449","0.001","90","","1886.98","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Wu, Fu-Peng; Lenz, Madina; Suresh, Adhya; Gogoi, Achyut R.; Tyler, Jasper L.; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Nitrogen-to-functionalized carbon atom transmutation of pyridine.","Chemical science","2024","15","37","15205","15211","10.1039/d4sc04413d","","x-ray","1.54178","CuKα","","0.0585","0.0418","","","0.0938","0.103","","","","","","1.049","","","","has coordinates","295168","2024-10-06","06:53:18",""
"1572402","30.9566","0.0005","17.6585","0.0002","8.2176","0.0001","90","","90","","90","","4492.13","0.1","120","0.1","120","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","0.5","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","1.54184","CuKα","","0.0286","0.0282","","","0.072","0.0725","","","","","","1.0588","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572403","10.4986","0.0005","11.6083","0.0006","12.2425","0.0006","97.683","0.004","106.716","0.004","100.894","0.004","1374.87","0.13","120.01","0.1","120.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C33.5 H26 O5.5 -","- C32 H20 O4 -","- C64 H40 O8 -","2","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0752","0.0598","","","0.1382","0.1457","","","","","","1.034","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572404","10.0081","0.0003","14.3562","0.0005","14.6779","0.0004","63.466","0.003","75.953","0.002","81.918","0.002","1829.09","0.11","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 Cl4 N4 O4 -","- C46 H26 Cl4 N4 O4 -","- C92 H52 Cl8 N8 O8 -","2","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0617","0.0486","","","0.1118","0.1204","","","","","","1.036","","","","has coordinates,has disorder","295182","2024-10-06","07:02:32",""
"1572405","10.5199","0.0002","18.4144","0.0003","13.8648","0.0003","90","","98.763","0.002","90","","2654.5","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 D12 O6 S3 -","- C30 H16 D12 O6 S3 -","- C120 H64 D48 O24 S12 -","4","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0638","0.0572","","","0.1256","0.129","","","","","","1.208","","","","has coordinates,has disorder","295182","2024-10-06","07:02:32",""
"1572406","17.9101","0.0006","8.2287","0.0003","14.3468","0.0005","90","","105.751","0.004","90","","2034.99","0.13","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C120 H88 O16 -","4","0.5","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0434","0.0331","","","0.0441","0.0465","","","","","","1.0922","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572407","10.2376","0.0007","10.4837","0.0006","12.0766","0.0007","107.559","0.003","103.934","0.003","103.55","0.003","1131.5","0.13","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H26 O5 -","- C31 H26 O5 -","- C62 H52 O10 -","2","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","","0.71073","MoKα","","0.0545","0.0328","","","0.0659","0.0738","","","","","","1.0588","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572408","14.0655","0.0008","7.6705","0.0005","13.2164","0.0007","90","","90","","90","","1425.91","0.14","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H13 Br4 Cl Ga N -","- C5 H13 Br4 Cl Ga N -","- C20 H52 Br16 Cl4 Ga4 N4 -","4","1","","Wang, Bin; Li, Zhirui; Tang, Zhengxiao; Zhao, Haixia; Long, Lasheng; Zheng, Lansun","Achievement of a giant electromechanical conversion coefficient in a molecule-based ferroelectric.","Chemical science","2024","15","37","15192","15197","10.1039/d4sc04185b","","x-ray","1.54184","CuKα","","0.0761","0.0616","","","0.1592","0.1806","","","","","","1.054","","","","has coordinates,has disorder","295172","2024-10-06","06:56:24",""
"1572409","11.1226","0.0007","15.8329","0.0009","15.9866","0.0009","104.893","0.002","90.229","0.002","96.128","0.002","2703.7","0.3","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H60 B N3 -","- C70 H60 B N3 -","- C140 H120 B2 N6 -","2","1","","Huang, Tingting; Yuan, Li; Lu, Xueying; Qu, Yupei; Qu, Cheng; Xu, Yincai; Zheng, You-Xuan; Wang, Yue","Efficient circularly polarized multiple resonance thermally activated delayed fluorescence from B,N-embedded hetero[8]helicene enantiomers.","Chemical science","2024","15","37","15170","15177","10.1039/d4sc03854a","","","0.71073","MoKα","","0.1271","0.0762","","","0.1967","0.241","","","","","","1.028","","","","has coordinates,has disorder","295178","2024-10-06","06:58:12",""
"1572410","12.5889","0.0011","15.8207","0.0013","12.628","0.0011","90","","94.562","0.002","90","","2507.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H36 Cl10 Ga3 -","- C54 H36 Cl10 Ga3 -","- C108 H72 Cl20 Ga6 -","2","1","","Bhattacharjee, Rameswar; McCormack, Megan E.; Zhou, Zheng; Wei, Zheng; Petrukhina, Marina A.; Kertesz, Miklos","A unique trimeric triphenylene radical cation: stacking aggregation, bonding, and stability.","Chemical science","2024","15","37","15221","15231","10.1039/d4sc03774j","","","0.71073","MoKα","","0.0407","0.0315","","","0.0641","0.0674","","","","","","1.034","","","","has coordinates","295176","2024-10-06","06:57:53",""
"1572416","14.4097","0.0015","5.8858","0.0007","21.876","0.003","90","","92.905","0.009","90","","1853","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Cu N6 -","- C36 H50 Cl2 Cu N6 -","- C72 H100 Cl4 Cu2 N12 -","2","0.5","","Gillhuber, Sebastian; Holloway, Joshua O.; Mundsinger, Kai; Kammerer, Jochen A.; Harmer, Jeffrey R.; Frisch, Hendrik; Barner-Kowollik, Christopher; Roesky, Peter W.","Visible light photoflow synthesis of a Cu(ii) single-chain polymer nanoparticle catalyst.","Chemical science","2024","15","37","15280","15290","10.1039/d4sc03079f","","x-ray","0.71073","MoKα","","0.0976","0.0511","","","0.11","0.1297","","","","","","1.032","","","","has coordinates","295173","2024-10-06","06:56:34",""
"1572417","6.7744","0.0013","9.1274","0.0019","15.003","0.003","90","","90","","90","","927.7","0.3","150","2","150","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C4 H12 Ag Br2 N -","- C4 H12 Ag Br2 N -","- C16 H48 Ag4 Br8 N4 -","4","0.25","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.","Chemical science","2024","15","38","15907","15912","10.1039/d4sc04165h","","","0.71073","MoKα","","0.08","0.0769","","","0.1817","0.1837","","","","","","1.107","","","","has coordinates","295200","2024-10-06","07:12:16",""
"1572418","6.797","0.003","9.193","0.005","15.12","0.007","90","","90","","90","","944.8","0.8","340","2","340","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C4 H12 Ag Br2 N -","- C4 H12 Ag Br2 N -","- C16 H48 Ag4 Br8 N4 -","4","0.25","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.","Chemical science","2024","15","38","15907","15912","10.1039/d4sc04165h","","","0.71073","MoKα","","0.1083","0.0893","","","0.2333","0.2576","","","","","","1.147","","","","has coordinates,has disorder","295200","2024-10-06","07:12:18",""
"1572419","6.7923","0.001","9.1285","0.0016","15.017","0.002","90","","90","","90","","931.1","0.2","298","2","298","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C4 H12 Ag Br2 N -","- C4 H12 Ag Br2 N -","- C16 H48 Ag4 Br8 N4 -","4","0.25","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.","Chemical science","2024","15","38","15907","15912","10.1039/d4sc04165h","","","0.71073","MoKα","","0.026","0.0234","","","0.0445","0.0454","","","","","","1.085","","","","has coordinates,has disorder","295200","2024-10-06","07:12:18",""
"1572420","19.7827","0.0005","24.1706","0.0007","21.6782","0.0006","90","","103.752","0.002","90","","10068.5","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46.7 H61.91 Au0.73 Cl3.43 N5 O0.54 Pt -","- C46.704 H61.908 Au0.7275 Cl3.4315 N5 O0.545 Pt -","- C373.632 H495.264 Au5.82 Cl27.452 N40 O4.36 Pt8 -","8","2","","Dietl, Martin C.; Maag, Melina; Ber, Sophia; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Andele, Pacome K.; Mkhalid, Ibraheem A. I.; Rizzolio, Flavio; Nogara, Pablo A.; Orian, Laura; Scattolin, Thomas; Hashmi, A Stephen K","Comparative study of the antiproliferative activity of heterometallic carbene gold(i)-platinum(ii) and gold(i)-palladium(ii) complexes in cancer cell lines.","Chemical science","2024","15","37","15291","15298","10.1039/d4sc04585h","","","1.54178","CuKα","","0.0916","0.0497","","","0.0951","0.1088","","","","","","1.012","","","","has coordinates,has disorder","295171","2024-10-06","06:56:17",""
"1572421","11.8697","0.0001","14.3822","0.0002","9.9352","0.0001","90","","95.776","0.001","90","","1687.45","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","","Gardner, Kristen E.; de Lescure, Louis; Hardy, Melissa A.; Tan, Jin; Sigman, Matthew S.; Paton, Robert S.; Sarpong, Richmond","Modular synthesis of aryl amines from 3-alkynyl-2-pyrones.","Chemical science","2024","15","38","15632","15638","10.1039/d4sc04885g","","x-ray","1.54184","CuKα","","0.0412","0.0384","","","0.097","0.0983","","","","","","1.029","","","","has coordinates","295207","2024-10-06","07:13:56",""
"1572422","9.4696","0.0005","9.4104","0.0004","7.9944","0.0004","90","","113.333","0.002","90","","654.14","0.06","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H5 N5 O3 Zn -","- C3 H5 N5 O3 Zn -","- C12 H20 N20 O12 Zn4 -","4","1","","Yang, Can; Kang, Yuwei; Wang, Xuefei; Gou, Jie; Xiong, Yi; Zhu, Zece; Chen, Ling; Wu, Qi","N<sub>2</sub>H<sub>4</sub>Zn(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>): exceptionally strong second harmonic generation and ultra-long phosphorescence.","Chemical science","2024","15","38","15725","15730","10.1039/d4sc04476b","","","0.71073","MoKα","","0.0175","0.0174","","","0.0468","0.0469","","","","","","1.062","","","","has coordinates","295210","2024-10-06","07:14:38",""
"1572423","43.206","0.008","9.8953","0.0019","25.757","0.005","90","","119.166","0.003","90","","9616","3","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H75 N4 Sc3 -","- C50 H75 N4 Sc3 -","- C400 H600 N32 Sc24 -","8","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","0.71073","MoKα","","0.0802","0.0446","","","0.1063","0.1226","","","","","","1.026","","","","has coordinates","296405","2024-12-06","16:46:48",""
"1572424","8.4652","0.0003","16.6864","0.0005","17.8292","0.0006","63.797","0.003","88.175","0.002","87.697","0.002","2257.53","0.14","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Cl O Sc -","- C24 H38 Cl O Sc -","- C96 H152 Cl4 O4 Sc4 -","4","2","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","x-ray","0.71073","MoKα","","0.0483","0.0376","","","0.095","0.1","","","","","","1.087","","","","has coordinates","296405","2024-12-06","16:46:50",""
"1572425","11.501","0.0009","11.579","0.0009","18.957","0.0015","82.26","0.004","81.73","0.004","64.75","0.003","2252","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 O7 Sc4 -","- C40 H66 O7 Sc4 -","- C80 H132 O14 Sc8 -","2","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","1.54178","CuKα","","0.0523","0.0469","","","0.1163","0.1212","","","","","","1.084","","","","has coordinates","296405","2024-12-06","16:46:50",""
"1572426","13.4651","0.0009","14.9197","0.001","20.5495","0.0013","90","","90","","90","","4128.3","0.5","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H67 I N2 O Sc2 -","- C40 H67 I N2 O Sc2 -","- C160 H268 I4 N8 O4 Sc8 -","4","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","0.71073","MoKα","","0.0366","0.0327","","","0.0869","0.0889","","","","","","1.073","","","","has coordinates,has disorder","296405","2024-12-06","16:46:50",""
"1572427","10.9904","0.0015","11.3937","0.0016","14.908","0.002","90","","90","","90","","1866.8","0.4","133","2","133","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C40 H60 N2 Sc2 -","- C40 H60 N2 Sc2 -","- C80 H120 N4 Sc4 -","2","0.25","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","0.71073","MoKα","","0.0563","0.0458","","","0.1071","0.1123","","","","","","1.058","","","","has coordinates,has disorder","296405","2024-12-06","16:46:50",""
"1572428","8.393","0.0005","11.1477","0.0007","20.9045","0.0011","90","","90","","90","","1955.9","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl Sc -","- C20 H30 Cl Sc -","- C80 H120 Cl4 Sc4 -","4","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","x-ray","0.71073","MoKα","","0.0484","0.0407","","","0.1023","0.1063","","","","","","1.051","","","","has coordinates","296405","2024-12-06","16:46:50",""
"1572429","7.375","0.0007","21.731","0.002","14.3104","0.0013","90","","90.31","0.003","90","","2293.4","0.4","100","2","100","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C38 H28 Fe2 N12 O8 Pd2 S4 -","- C38 H28 Fe2 N12 O8 Pd2 S4 -","- C76 H56 Fe4 N24 O16 Pd4 S8 -","2","0.25","","Paul, Abhik; Kosaka, Wataru; Kumar, Bhart; Mondal, Dibya Jyoti; Miyasaka, Hitoshi; Konar, Sanjit","CO<sub>2</sub>-actuated spin transition tuning in an interdigitated Hofmann-type coordination polymer.","Chemical science","2024","15","38","15610","15616","10.1039/d4sc04266b","","","0.71073","MoKα","","0.0468","0.0466","","","0.1222","0.1224","","","","","","1.185","","","","has coordinates","295204","2024-10-06","07:13:14",""
"1572430","10.52","0.04","14.31","0.07","14.38","0.06","82.65","0.09","74.13","0.11","72.38","0.08","1982","15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 O2 W -","- C47 H60 O2 W -","- C94 H120 O4 W2 -","2","1","","Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.","Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.","Chemical science","2024","15","38","15873","15879","10.1039/d4sc04411h","","","0.71073","MoKα","","0.0348","0.0264","","","0.0513","0.0536","","","","","","1.02","","","","has coordinates","295212","2024-10-06","07:15:19",""
"1572431","10.8411","0.0003","16.8936","0.0005","20.2912","0.0005","90","","99.748","0.001","90","","3662.58","0.17","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H56 O3 W -","- C43 O3 W -","- C172 O12 W4 -","4","1","","Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.","Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.","Chemical science","2024","15","38","15873","15879","10.1039/d4sc04411h","","","0.71073","MoKα","","0.0347","0.0304","","","0.0646","0.0661","","","","","","1.142","","","","has coordinates,has disorder","295212","2024-10-06","07:15:20",""
"1572432","12.2551","0.0006","14.4674","0.0007","20.7849","0.001","90","","96.471","0.002","90","","3661.7","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H0.25 O3 W -","- C43 H58 O3 W -","- C172 H232 O12 W4 -","4","1","","Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.","Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.","Chemical science","2024","15","38","15873","15879","10.1039/d4sc04411h","","","0.71073","MoKα","","0.0312","0.022","","","0.0454","0.0488","","","","","","1.041","","","","has coordinates","295212","2024-10-06","07:15:20",""
"1572433","10.8969","0.0004","13.5727","0.0005","14.1536","0.0006","90","","96.74","0.002","90","","2078.86","0.14","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H46 Co F6 N2 O2 P3 -","- C46 H46 Co F6 N2 O2 P3 -","- C92 H92 Co2 F12 N4 O4 P6 -","2","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0417","0.036","","","0.0843","0.0879","","","","","","1.063","","","","has coordinates","295170","2024-10-06","06:56:03",""
"1572434","15.4283","0.0009","9.7434","0.0005","12.9567","0.0008","90","","120.359","0.002","90","","1680.63","0.17","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H38 Co N2 O P2 -","- C42 H38 Co N2 O P2 -","- C84 H76 Co2 N4 O2 P4 -","2","0.5","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0294","0.0273","","","0.0622","0.0632","","","","","","1.1","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572435","37.0504","0.0012","9.6501","0.0004","23.1185","0.0008","90","","123.211","0.001","90","","6915.6","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Co N2 P2 -","- C44 H38 Co N2 P2 -","- C352 H304 Co8 N16 P16 -","8","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0371","0.0289","","","0.0709","0.076","","","","","","1.034","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572436","15.4595","0.0004","14.3076","0.0004","18.6069","0.0006","90","","90","","90","","4115.6","0.2","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H38 Co F12 N2 O P4 -","- C42 H38 Co F12 N2 O P4 -","- C168 H152 Co4 F48 N8 O4 P16 -","4","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.035","0.029","","","0.0662","0.0697","","","","","","1.052","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572437","11.1913","0.0004","13.9843","0.0006","17.7609","0.0008","76.602","0.001","83.396","0.001","67.358","0.001","2494.54","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H60 Co K N2 O6 P2 -","- C56 H60 Co K N2 O6 P2 -","- C112 H120 Co2 K2 N4 O12 P4 -","2","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0626","0.0393","","","0.0897","0.1011","","","","","","1.033","","","","has coordinates,has disorder","295170","2024-10-06","06:56:04",""
"1572438","11.4936","0.0005","12.2636","0.0005","15.7199","0.0007","87.128","0.001","75.067","0.002","85.597","0.001","2133.56","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45.44 H46.56 Co F6 N2 O0.79 P4 -","- C45.428 H46.56 Co F6 N2 O0.783 P4 -","- C90.856 H93.12 Co2 F12 N4 O1.566 P8 -","2","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0313","0.0282","","","0.0707","0.0734","","","","","","1.033","","","","has coordinates,has disorder","295170","2024-10-06","06:56:04",""
"1572439","11.2827","0.0005","24.3783","0.0012","46.956","0.002","90","","90","","90","","12915.4","1","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H80 Co K N2 O6 P2 -","- C74 H80 Co K N2 O6 P2 -","- C592 H640 Co8 K8 N16 O48 P16 -","8","2","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0544","0.0431","","","0.1093","0.1181","","","","","","1.078","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572464","21.0807","0.0004","4.92885","0.00012","23.4456","0.0005","90","","102.218","0.002","90","","2380.9","0.09","99.97","0.13","99.97","0.13","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","","Cheng, Qianqian; De Bo, Guillaume","Mechanochemical generation of aryne.","Chemical science","2024","15","33","13181","13184","10.1039/d4sc03968h","","x-ray","1.54184","CuKα","","0.0653","0.0578","","","0.1532","0.1604","","","","","","1.047","","","","has coordinates","294363","2024-09-04","07:53:04",""
"1572465","23.5231","0.0019","8.2852","0.0007","24.9724","0.0019","90","","105.323","0.008","90","","4693.9","0.7","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C240 H224 O32 -","8","2","","Cheng, Qianqian; De Bo, Guillaume","Mechanochemical generation of aryne.","Chemical science","2024","15","33","13181","13184","10.1039/d4sc03968h","","x-ray","1.54184","CuKα","","0.1398","0.0713","","","0.1605","0.2012","","","","","","1.029","","","","has coordinates","294363","2024-09-04","07:53:04",""
"1572466","14.6516","0.0007","27.2272","0.0013","29.4109","0.0014","90","","99.944","0.001","90","","11556.4","1","77.15","","77.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C114 H122 Cu4 F12 N4 O7 P10 S -","- C114 H122 Cu4 F12 N4 O7 P10 S -","- C456 H488 Cu16 F48 N16 O28 P40 S4 -","4","1","","Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.","Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.","Chemical science","2024","15","34","13668","13675","10.1039/d4sc00701h","","","0.40633","synchrotron","","0.0845","0.0568","","","0.1257","0.14","","","","","","1.025","","","","has coordinates","294364","2024-09-04","08:05:03",""
"1572467","11.668","0.004","47.89","0.016","11.5","0.005","90","","95.148","0.011","90","","6400","4","77.15","","77.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H66 Cu2 F12 N4 O3 P6 -","- C61 H66 Cu2 F12 N4 O3 P6 -","- C244 H264 Cu8 F48 N16 O12 P24 -","4","1","","Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.","Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.","Chemical science","2024","15","34","13668","13675","10.1039/d4sc00701h","","","0.41328","synchrotron","","0.0569","0.0506","","","0.125","0.1315","","","","","","1.068","","","","has coordinates,has disorder","294364","2024-09-04","08:05:06",""
"1572468","27.1837","0.0008","16.4148","0.0005","23.8408","0.0006","90","","110.577","0.001","90","","9959.4","0.5","77.15","","77.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H88 Cu4 F8 O P8 S -","- C103 H94 Cu4 F12 O P10 S -","- C412 H376 Cu16 F48 O4 P40 S4 -","4","0.5","","Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.","Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.","Chemical science","2024","15","34","13668","13675","10.1039/d4sc00701h","","","0.41328","synchrotron","","0.0527","0.0482","","","0.1359","0.1398","","","","","","1.081","","","","has coordinates","294364","2024-09-04","08:05:07",""
"1572469","13.6415","0.0002","19.3339","0.0003","18.973","0.0003","90","","109.138","0.0017","90","","4727.45","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H67 Al Mg N2 O -","- C52 H67 Al Mg N2 O -","- C208 H268 Al4 Mg4 N8 O4 -","4","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","1.54184","CuKα","","0.0896","0.0661","","","0.1834","0.2016","","","","","","1.044","","","","has coordinates,has disorder","295174","2024-10-06","06:57:22",""
"1572470","13.9427","0.0002","19.1025","0.0003","18.6052","0.0003","90","","108.451","0.002","90","","4700.59","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H67 Be In N2 O -","- C52 H67 Be In N2 O -","- C208 H268 Be4 In4 N8 O4 -","4","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","1.54184","CuKα","","0.0396","0.0313","","","0.0762","0.0806","","","","","","1.038","","","","has coordinates","295174","2024-10-06","06:57:31",""
"1572471","19.3033","0.0002","17.3028","0.0002","27.4999","0.0004","90","","103.204","0.0012","90","","8942.2","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Ga N2 O -","- C52 H67 Ga N2 O -","- C416 H536 Ga8 N16 O8 -","8","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","0.71073","MoKα","","0.0697","0.0607","","","0.1618","0.1667","","","","","","1.163","","","","has coordinates,has disorder","295174","2024-10-06","06:57:31",""
"1572472","13.87645","0.00013","21.59607","0.00019","20.08526","0.00015","90","","102.734","0.0008","90","","5871.03","0.09","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H98 Al N5 O -","- C63 H98 Al N5 O -","- C252 H392 Al4 N20 O4 -","4","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","1.54184","CuKα","","0.0698","0.0585","","","0.1658","0.18","","","","","","1.017","","","","has coordinates,has disorder","295174","2024-10-06","06:57:31",""
"1572473","17.626","0.002","7.583","0.0009","9.5983","0.0011","90","","93.496","0.005","90","","1280.5","0.3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-1","","- C18 H31 Cl6 In0.95 N3 Sb0.05 -","- C18 H31 Cl6 In0.95 N3 Sb0.05 -","- C36 H62 Cl12 In1.9 N6 Sb0.1 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0326","0.0295","","","0.0592","0.0611","","","","","","1.052","","","","has coordinates,has disorder","295166","2024-10-06","06:52:57",""
"1572474","14.807","0.005","9.305","0.003","9.672","0.004","90","","92.017","0.011","90","","1331.8","0.8","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2A","","- C19 H34 Cl6 In0.79 N3 Sb0.21 -","- C19 H34 Cl6 In0.79 N3 Sb0.21 -","- C38 H68 Cl12 In1.58 N6 Sb0.42 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0276","0.026","","","0.0628","0.0651","","","","","","1.08","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572475","14.843","0.005","9.3","0.003","9.69","0.003","90","","92.129","0.011","90","","1336.7","0.7","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2B","","- C19 H34 Cl6 In0.72 N3 Sb0.28 -","- C19 H34 Cl6 In0.72 N3 Sb0.28 -","- C38 H68 Cl12 In1.44 N6 Sb0.56 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0322","0.028","","","0.0595","0.0627","","","","","","1.093","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572476","14.74","0.006","9.26","0.004","9.647","0.004","90","","92.088","0.013","90","","1315.9","1","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2","","- C19 H34 Cl6 In0.95 N3 Sb0.05 -","- C19 H34 Cl6 In0.95 N3 Sb0.05 -","- C38 H68 Cl12 In1.9 N6 Sb0.1 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0345","0.0305","","","0.0705","0.0748","","","","","","1.057","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572477","14.863","0.004","9.29","0.002","9.706","0.002","90","","92.229","0.008","90","","1339.2","0.5","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2C","","- C19 H34 Cl6 In0.59 N3 Sb0.41 -","- C19 H34 Cl6 In0.59 N3 Sb0.41 -","- C38 H68 Cl12 In1.18 N6 Sb0.82 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0312","0.0278","","","0.0591","0.0615","","","","","","1.07","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572478","12.7343","0.0006","11.6579","0.0005","14.1462","0.0006","90","","113.366","0.002","90","","1927.85","0.15","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N2 O P2 -","- C15 H30 N2 O P2 -","- C60 H120 N8 O4 P8 -","4","1","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","1.54178","CuKα","K-L~3~","0.0333","0.0296","","","0.0753","0.0778","","","","","","1.049","","","","has coordinates","295209","2024-10-06","07:14:30",""
"1572479","5.1758","0.0003","5.3182","0.0003","11.4365","0.0006","88.01","0.002","83.733","0.002","80.367","0.002","308.46","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 P2 -","- C12 H20 P2 -","- C12 H20 P2 -","1","0.5","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","0.71073","MoKα","K-L~3~","0.0528","0.049","","","0.1255","0.1272","","","","","","1.142","","","","has coordinates","295209","2024-10-06","07:14:30",""
"1572480","10.5119","0.0004","15.7592","0.0006","16.7454","0.0006","90","","100.303","0.001","90","","2729.3","0.18","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 N2 -","- C30 H50 N2 -","- C120 H200 N8 -","4","1","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","1.54178","CuKα","K-L~3~","0.0396","0.038","","","0.0971","0.0988","","","","","","1.024","","","","has coordinates","295209","2024-10-06","07:14:30",""
"1572481","11.7119","0.0016","11.7054","0.0015","14.533","0.002","90","","113.731","0.004","90","","1823.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 N2 P2 -","- C14 H30 N2 P2 -","- C56 H120 N8 P8 -","4","1","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","0.71073","MoKα","K-L~3~","0.0641","0.0473","","","0.111","0.122","","","","","","1.06","","","","has coordinates,has disorder","295209","2024-10-06","07:14:30",""
"1572482","16.175","0.002","8.8838","0.001","16.016","0.003","90","","118.393","0.019","90","","2024.6","0.6","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorobenzyl)-3,3-difluoro-3a-(4-fluorobenzyl)octahydro-1H-indole-2-carbonitrile","","- C23 H22 Cl F3 N2 -","- C23 H22 Cl F3 N2 -","- C92 H88 Cl4 F12 N8 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","0.71073","MoKα","","0.0816","0.0484","","","0.1094","0.1324","","","","","","1.021","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572483","15.0621","0.0014","7.4049","0.0008","18.0353","0.0015","90","","109.111","0.009","90","","1900.7","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(4-chlorobenzyl)-3,3-difluoro-3a-(4-fluorobenzyl)octahydro-1H-indol-2-ol","","- C22 H23 Cl F3 N O -","- C22 H23 Cl F3 N O -","- C88 H92 Cl4 F12 N4 O4 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","0.71073","MoKα","","0.0796","0.0538","","","0.1159","0.1345","","","","","","1.038","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572484","9.4827","0.0008","11.3393","0.0009","16.2357","0.0014","90","","90","","90","","1745.8","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-(4-chlorophenyl)-3,3-difluoro-3a-(4-fluorobenzyl)hexahydrocyclopenta[b]pyrrol-2(1H)-one","","- C20 H17 Cl F3 N O -","- C20 H17 Cl F3 N O -","- C80 H68 Cl4 F12 N4 O4 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","0.71073","MoKα","","0.0558","0.0413","","","0.0899","0.1001","","","","","","1.032","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572485","11.743","0.003","16.564","0.004","12.926","0.003","90","","120.721","0.017","90","","2161.4","1","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl F2 N O S -","- C26 H20 Cl F2 N O S -","- C104 H80 Cl4 F8 N4 O4 S4 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","1.34138","GaKα","","0.1409","0.0717","","","0.1765","0.2201","","","","","","1.013","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572486","9.1803","0.0002","12.075","0.0002","28.1968","0.0004","90","","96.323","0.001","90","","3106.66","0.1","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C160 H176 N16 -","8","2","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0696","0.0647","","","0.1855","0.1892","","","","","","1.079","","","","has coordinates","296398","2024-12-06","16:44:16",""
"1572487","10.02211","0.00019","10.3152","0.0002","16.3908","0.0003","90","","90","","90","","1694.48","0.06","303.64","0.1","303.64","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0444","0.0427","","","0.1116","0.1138","","","","","","1.059","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572488","5.9659","0.0002","12.6239","0.0005","21.0785","0.0008","90","","90","","90","","1587.48","0.1","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C84 H80 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","","0.71073","MoKα","","0.0459","0.0376","","","0.0901","0.0943","","","","","","1.044","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572489","9.3172","0.0003","13.2929","0.0004","15.5466","0.0006","90","","90","","90","","1925.49","0.11","300.77","0.1","300.77","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H24 N2 -","- C24 H24 N2 -","- C96 H96 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0477","0.044","","","0.1208","0.1241","","","","","","1.032","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572490","10.892","0.0003","20.1165","0.0007","9.3605","0.0003","90","","104.195","0.003","90","","1988.35","0.11","302.03","0.1","302.03","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0687","0.0497","","","0.1327","0.1529","","","","","","1.072","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572491","9.002","0.0002","10.8545","0.0002","12.0854","0.0002","109.707","0.002","101.745","0.002","98.816","0.002","1056.44","0.04","301.84","0.1","301.84","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C54 H44 N4 -","2","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0543","0.0461","","","0.1288","0.1368","","","","","","1.072","","","","has coordinates,has disorder","296398","2024-12-06","16:44:17",""
"1572492","10.2015","0.0005","18.4915","0.0008","18.9255","0.0009","90","","90","","90","","3570.1","0.3","242","","242","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C160 H184 N8 O16 -","8","2","","Xiao, Jichao; Jia, Tingting; Chen, Shuang; Pan, Mengxiao; Li, Xingwei","Ni-catalyzed enantioselective three-component reductive alkylacylation of alkenes: modular access to structurally complex α-amino ketones.","Chemical science","2024","15","37","15489","15495","10.1039/d4sc04561k","","","1.54178","CuKα","","0.0326","0.0317","","","0.0824","0.083","","","","","","1.091","","","","has coordinates","295167","2024-10-06","06:53:08",""
"1572493","17.0757","0.0003","17.0757","0.0003","13.5351","0.0003","90","","90","","120","","3417.82","0.11","200","","200","","","","","","","","","6","P 31","P 31","144","","","","- C21 H23 Br Cl N O2 -","- C21 H23 Br Cl N O2 -","- C126 H138 Br6 Cl6 N6 O12 -","6","2","","Xiao, Jichao; Jia, Tingting; Chen, Shuang; Pan, Mengxiao; Li, Xingwei","Ni-catalyzed enantioselective three-component reductive alkylacylation of alkenes: modular access to structurally complex α-amino ketones.","Chemical science","2024","15","37","15489","15495","10.1039/d4sc04561k","","","1.54178","CuKα","","0.0731","0.0662","","","0.1941","0.2039","","","","","","1.049","","","","has coordinates,has disorder","295167","2024-10-06","06:53:09",""
"1572494","17.5466","0.0005","4.9289","0.0002","23.3375","0.0006","90","","97.338","0.003","90","","2001.82","0.11","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N7 O4 S -","- C17 H13 N7 O4 S -","- C68 H52 N28 O16 S4 -","4","1","","Miyazaki, Ryuya; Takada, Fumito; Kikuchi, Takunari; Oguro, Yuya; Kamata, Makoto; Yukawa, Takafumi; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","2<i>H</i>-Thiazolo[4,5-<i>d</i>][1,2,3]triazole: synthesis, functionalization, and application in scaffold-hopping.","Chemical science","2024","15","38","15835","15840","10.1039/d4sc03874f","","x-ray","1.54184","CuKα","","0.0664","0.0583","","","0.1665","0.1746","","","","","","1.065","","","","has coordinates","295203","2024-10-06","07:13:07",""
"1572495","6.124","0.0002","10.0991","0.0003","14.9338","0.0006","80.551","0.003","86.987","0.003","77.131","0.002","888.07","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N5 S -","- C19 H23 N5 S -","- C38 H46 N10 S2 -","2","1","","Miyazaki, Ryuya; Takada, Fumito; Kikuchi, Takunari; Oguro, Yuya; Kamata, Makoto; Yukawa, Takafumi; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","2<i>H</i>-Thiazolo[4,5-<i>d</i>][1,2,3]triazole: synthesis, functionalization, and application in scaffold-hopping.","Chemical science","2024","15","38","15835","15840","10.1039/d4sc03874f","","x-ray","1.54184","CuKα","","0.0383","0.0345","","","0.0916","0.0947","","","","","","1.065","","","","has coordinates","295203","2024-10-06","07:13:08",""
"1572508","9.3455","0.0003","12.358","0.0003","14.8848","0.0003","108.452","0.002","92.03","0.002","97.599","0.002","1610.9","0.08","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","Ruthenium MACHO-(N-phenylformamide)","carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-phenylformamide)-ruthenium","","- C36 H36 N2 O2 P2 Ru -","- C36 H36 N2 O2 P2 Ru -","- C72 H72 N4 O4 P4 Ru2 -","2","1","","Luk, James; Goodfellow, Alister S.; More, Nachiket Deepak; Bühl, Michael; Kumar, Amit","Exploiting decarbonylation and dehydrogenation of formamides for the synthesis of ureas, polyureas, and poly(urea-urethanes).","Chemical science","2024","15","40","16594","16604","10.1039/d4sc03948c","","x-ray","0.71073","MoKα","","0.085","0.0522","","","0.0942","0.1017","","","","","","1.028","","","","has coordinates","296424","2024-12-06","16:54:10",""
"1572509","10.3385","0.0002","12.963","0.0002","15.3995","0.0004","85.247","0.002","80.723","0.002","85.758","0.001","2025.95","0.07","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-benzylformamide)-ruthenium N-benzylformamide","","- C45 H47 N3 O3 P2 Ru -","- C45 H47 N3 O3 P2 Ru -","- C90 H94 N6 O6 P4 Ru2 -","2","1","","Luk, James; Goodfellow, Alister S.; More, Nachiket Deepak; Bühl, Michael; Kumar, Amit","Exploiting decarbonylation and dehydrogenation of formamides for the synthesis of ureas, polyureas, and poly(urea-urethanes).","Chemical science","2024","15","40","16594","16604","10.1039/d4sc03948c","","x-ray","0.71073","MoKα","","0.0652","0.0406","","","0.0751","0.0801","","","","","","1.015","","","","has coordinates","296424","2024-12-06","16:54:11",""
"1572529","7.97347","0.00014","14.0397","0.0003","18.8868","0.0004","89.8034","0.0016","87.772","0.0016","74.1423","0.0016","2032.23","0.07","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Mo N O9 S -","- C19 H19 Mo N O9 S -","- C76 H76 Mo4 N4 O36 S4 -","4","2","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.049","0.044","","","0.1166","0.1203","","","","","","1.064","","","","has coordinates,has disorder","296400","2024-12-06","16:44:44",""
"1572530","12.514","0.00014","6.72111","0.00008","23.5861","0.0003","90","","93.9945","0.0011","90","","1978.96","0.04","109.95","0.1","109.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Mo N O6 S2 -","- C17 H21 Mo N O6 S2 -","- C68 H84 Mo4 N4 O24 S8 -","4","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0287","0.0258","","","0.0643","0.0658","","","","","","1.039","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572531","6.93153","0.0001","11.7456","0.00018","20.3314","0.0003","90","","94.9309","0.0013","90","","1649.15","0.04","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Mo N O7 -","- C16 H17 Mo N O7 -","- C64 H68 Mo4 N4 O28 -","4","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0303","0.0283","","","0.0665","0.0676","","","","","","1.066","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572532","6.7559","0.0004","12.1951","0.0007","12.2098","0.0007","71.97","0.005","80.752","0.005","77.252","0.005","928.33","0.1","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 F2 Mo N O5.5 -","- C19 H19 F2 Mo N O5.5 -","- C38 H38 F4 Mo2 N2 O11 -","2","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0292","0.0279","","","0.066","0.0668","","","","","","1.056","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572533","13.3516","0.0003","14.811","0.0003","11.4468","0.0003","90","","112.217","0.003","90","","2095.56","0.1","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F6 Mo N O6 -","- C19 H17 F6 Mo N O6 -","- C76 H68 F24 Mo4 N4 O24 -","4","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0326","0.0297","","","0.0773","0.0793","","","","","","1.058","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572534","5.1775","0.0004","11.4157","0.001","7.2715","0.0005","90","","90","","90","","429.78","0.06","297","","297","","","","","","","","","5","A m m 2","A 2 -2","38","","","","- B3 K2 La2 Na O9 -","- B3 K2 La2 Na O9 -","- B6 K4 La4 Na2 O18 -","2","0.25","","Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng","A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates.","Chemical science","2024","15","39","16196","16204","10.1039/d4sc05081a","","x-ray","0.71073","MoKα","","0.05","0.0497","","","0.1276","0.1279","","","","","","1.121","","","","has coordinates","296399","2024-12-06","16:44:26",""
"1572535","6.7996","0.0013","16.42","0.003","9.4868","0.0017","90","","90","","90","","1059.2","0.3","273.15","","273.15","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- B3 K3 La2 O9 -","- B3 K3 La2 O9 -","- B12 K12 La8 O36 -","4","1","","Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng","A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates.","Chemical science","2024","15","39","16196","16204","10.1039/d4sc05081a","","x-ray","0.71073","MoKα","","0.0518","0.0399","","","0.0938","0.096","","","","","","0.983","","","","has coordinates,has disorder","296399","2024-12-06","16:44:27",""
"1572536","19.1121","0.0013","13.8417","0.0009","30.0202","0.0017","90","","90","","90","","7941.7","0.9","150","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C53 H42 N2 -","- C53 H42 N2 -","- C424 H336 N16 -","8","1","","Li, Qian; Guo, Yusong; Lan, Jingbo; Yang, Yudong; Wu, Di; Bin, Zhengyang","Spirobifluorene-based hole-transporting materials for RGB OLEDs with high efficiency and low efficiency roll-off.","Chemical science","2024","15","39","16096","16102","10.1039/d4sc04979a","","","0.71073","MoKα","","0.0877","0.0537","","","0.1284","0.1548","","","","","","1.039","","","","has coordinates","296403","2024-12-06","16:45:42",""
"1572537","15.2944","0.0004","20.2938","0.0006","25.559","0.0009","90","","96.449","0.002","90","","7882.8","0.4","213","2","213","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C74 H98 B N4 O2 Y2 -","- C74 H98 B N4 O2 Y2 -","- C296 H392 B4 N16 O8 Y8 -","4","0.5","","Mavragani, Niki; Kitos, Alexandros A.; Mansikkamäki, Akseli; Murugesu, Muralee","Stabilizing an exotic dianionic tetrazine bridge in a Ln<sub>2</sub> metallocene.","Chemical science","2024","15","39","16234","16242","10.1039/d4sc03734k","","","0.71073","MoKα","","0.0465","0.0337","","","0.0875","0.0954","","","","","","1.037","","","","has coordinates","296402","2024-12-06","16:45:33",""
"1572538","14.2304","0.0008","13.3587","0.0008","15.0126","0.001","90","","95.235","0.004","90","","2842","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 N4 O4 Y2 -","- C58 H94 N4 O4 Y2 -","- C116 H188 N8 O8 Y4 -","2","0.5","","Mavragani, Niki; Kitos, Alexandros A.; Mansikkamäki, Akseli; Murugesu, Muralee","Stabilizing an exotic dianionic tetrazine bridge in a Ln<sub>2</sub> metallocene.","Chemical science","2024","15","39","16234","16242","10.1039/d4sc03734k","","","0.71073","MoKα","","0.0718","0.0471","","","0.1282","0.147","","","","","","1.046","","","","has coordinates,has disorder","296402","2024-12-06","16:45:33",""
"1572539","14.3222","0.0004","13.3614","0.0003","14.9998","0.0004","90","","94.976","0.001","90","","2859.61","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 Gd2 N4 O4 -","- C58 H94 Gd2 N4 O4 -","- C116 H188 Gd4 N8 O8 -","2","0.5","","Mavragani, Niki; Kitos, Alexandros A.; Mansikkamäki, Akseli; Murugesu, Muralee","Stabilizing an exotic dianionic tetrazine bridge in a Ln<sub>2</sub> metallocene.","Chemical science","2024","15","39","16234","16242","10.1039/d4sc03734k","","","0.71073","MoKα","","0.0563","0.046","","","0.1112","0.1233","","","","","","1.076","","","","has coordinates,has disorder","296402","2024-12-06","16:45:33",""
"1572545","9.6477","0.0007","10.3442","0.0008","15.3145","0.0012","88.415","0.001","72.422","0.001","63.567","0.001","1294.42","0.17","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 Hf N2 Si -","- C27 H36 Hf N2 Si -","- C54 H72 Hf2 N4 Si2 -","2","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","x-ray","0.71073","MoKα","","0.036","0.0338","","","0.0881","0.0892","","","","","","1.028","","","","has coordinates","295201","2024-10-06","07:12:43",""
"1572546","9.4363","0.0004","9.4941","0.0004","16.9652","0.0007","83.659","0.001","80.491","0.001","70.284","0.001","1408.68","0.1","112","2","112","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Hf N3 Si -","- C29 H39 Hf N3 Si -","- C58 H78 Hf2 N6 Si2 -","2","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0369","0.0301","","","0.0553","0.0572","","","","","","1.013","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572547","9.488","0.0003","38.1993","0.0014","9.6016","0.0003","90","","114.088","0.001","90","","3176.92","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H45 Hf N3 Si -","- C32 H45 Hf N3 Si -","- C128 H180 Hf4 N12 Si4 -","4","2","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0524","0.0469","","","0.0903","0.0932","","","","","","1.032","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572548","9.2803","0.0007","37.819","0.003","9.6856","0.0007","90","","114.12","0.0015","90","","3102.6","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H40 Br0.5 Cl0.5 Hf N3 Si -","- C30 H40 Br0.5 Cl0.5 Hf N3 Si -","- C120 H160 Br2 Cl2 Hf4 N12 Si4 -","4","2","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.052","0.0447","","","0.0915","0.0942","","","","","","1.02","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572549","10.4428","0.0007","12.0367","0.001","15.1051","0.001","84.604","0.004","76.557","0.003","65.977","0.004","1686.7","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N4 Zr -","- C36 H50 N4 Zr -","- C72 H100 N8 Zr2 -","2","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0744","0.0611","","","0.1401","0.1538","","","","","","1.051","","","","has coordinates,has disorder","295201","2024-10-06","07:12:45",""
"1572550","16.1939","0.0014","15.9751","0.001","27.1492","0.0016","90","","90","","90","","7023.5","0.9","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 Hf N4 Si -","- C35 H50 Hf N4 Si -","- C280 H400 Hf8 N32 Si8 -","8","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0661","0.0431","","","0.0846","0.0978","","","","","","1.036","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572551","44.5128","0.0008","44.5128","0.0008","9.3817","0.0003","90","","90","","120","","16098.4","0.7","120","","120","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41 H46 Hf N4 Si -","- C41 H46 Hf N4 Si -","- C738 H828 Hf18 N72 Si18 -","18","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.053","0.0406","","","0.0814","0.0872","","","","","","1.025","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572552","30.058","0.0002","30.058","0.0002","45.2905","0.0003","90","","90","","120","","35437.1","0.4","100.02","0.13","100.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C106 H124 Cl4 N8 O12 -","- C106 H124 Cl4 N8 O12 -","- C954 H1116 Cl36 N72 O108 -","9","1","","Hu, Ming; Ye, Feng-Ying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song","Highly enhanced chiroptical effect from self-inclusion helical nanocrystals of tetraphenylethylene bimacrocycles.","Chemical science","2024","15","40","16627","16636","10.1039/d4sc03599b","","","1.54184","CuKα","","0.0789","0.0722","","","0.2064","0.2131","","","","","","1.052","","","","has coordinates","296430","2024-12-06","16:58:18",""
"1572553","29.7705","0.0003","26.2949","0.0003","8.8623","0.0001","90","","90","","90","","6937.52","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C65 H66 Cl2 N4 O10 -","- C65 H66 Cl2 N4 O10 -","- C260 H264 Cl8 N16 O40 -","4","1","","Hu, Ming; Ye, Feng-Ying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song","Highly enhanced chiroptical effect from self-inclusion helical nanocrystals of tetraphenylethylene bimacrocycles.","Chemical science","2024","15","40","16627","16636","10.1039/d4sc03599b","","x-ray","1.54184","CuKα","","0.0596","0.052","","","0.1446","0.1509","","","","","","1.038","","","","has coordinates,has disorder","296430","2024-12-06","16:58:19",""
"1572554","19.334","0.005","13.388","0.004","23.028","0.009","90","","112.142","0.003","90","","5521","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 Fe Li2 N4 O2 -","- C52 H76 Fe Li2 N4 O2 -","- C208 H304 Fe4 Li8 N16 O8 -","4","1","","Hertler, Phoebe R.; Sauza-de la Vega, Arturo; Darù, Andrea; Sarkar, Arup; Lewis, Richard A.; Wu, Guang; Gagliardi, Laura; Hayton, Trevor W.","A homoleptic Fe(iv) ketimide complex with a low-lying excited state.","Chemical science","2024","15","40","16559","16566","10.1039/d4sc04880f","","","0.71073","MoKα","","0.1319","0.0776","","","0.1998","0.2339","","","","","","1.017","","","","has coordinates","296426","2024-12-06","16:55:06",""
"1572555","23.042","0.006","9.565","0.003","21.412","0.008","90","","121.565","0.005","90","","4021","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Fe N4 -","- C44 H56 Fe N4 -","- C176 H224 Fe4 N16 -","4","0.5","","Hertler, Phoebe R.; Sauza-de la Vega, Arturo; Darù, Andrea; Sarkar, Arup; Lewis, Richard A.; Wu, Guang; Gagliardi, Laura; Hayton, Trevor W.","A homoleptic Fe(iv) ketimide complex with a low-lying excited state.","Chemical science","2024","15","40","16559","16566","10.1039/d4sc04880f","","","0.71073","MoKα","","0.0701","0.0441","","","0.0565","0.0603","","","","","","1.381","","","","has coordinates","296426","2024-12-06","16:55:07",""
"1572556","23.477","0.012","9.781","0.005","21.869","0.016","90","","122.075","0.008","90","","4255","4","287","2","287","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Fe N4 -","- C44 H56 Fe N4 -","- C176 H224 Fe4 N16 -","4","0.5","","Hertler, Phoebe R.; Sauza-de la Vega, Arturo; Darù, Andrea; Sarkar, Arup; Lewis, Richard A.; Wu, Guang; Gagliardi, Laura; Hayton, Trevor W.","A homoleptic Fe(iv) ketimide complex with a low-lying excited state.","Chemical science","2024","15","40","16559","16566","10.1039/d4sc04880f","","","0.71073","MoKα","","0.0779","0.0581","","","0.1466","0.1607","","","","","","1.021","","","","has coordinates","296426","2024-12-06","16:55:07",""
"1572557","12.6131","0.0005","23.9374","0.0009","16.1455","0.0007","90","","109.519","0.001","90","","4594.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 F18 Fe N10 P2 -","- C40 H40 F18 Fe N10 P2 -","- C160 H160 F72 Fe4 N40 P8 -","4","1","","Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric","Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.","Chemical science","2024","15","38","15625","15631","10.1039/d4sc03504f","","","0.71073","MoKα","","0.0498","0.037","","","0.0791","0.0842","","","","","","1.026","","","","has coordinates","295211","2024-10-06","07:14:57",""
"1572558","11.2151","0.0007","11.2151","0.0007","39.789","0.004","90","","90","","120","","4334.1","0.6","100","","100","","","","","","","","","6","P 32","P 32","145","","","","- C52 H60 F12 Fe N8 P2 -","- C52 H60 F12 Fe N8 P2 -","- C156 H180 F36 Fe3 N24 P6 -","3","1","","Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric","Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.","Chemical science","2024","15","38","15625","15631","10.1039/d4sc03504f","","","0.71073","MoKα","","0.0495","0.0484","","","0.1274","0.1283","","","","","","1.094","","","","has coordinates,has disorder","295211","2024-10-06","07:14:57",""
"1572559","12.2526","0.0005","13.4256","0.0004","20.2744","0.0008","84.787","0.001","80.556","0.001","76.504","0.001","3194.3","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H50 Cl6 F18 Fe N10 P2 -","- C53 H50 Cl6 F18 Fe N10 P2 -","- C106 H100 Cl12 F36 Fe2 N20 P4 -","2","1","","Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric","Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.","Chemical science","2024","15","38","15625","15631","10.1039/d4sc03504f","","","0.71073","MoKα","","0.0682","0.0606","","","0.1488","0.1539","","","","","","1.069","","","","has coordinates,has disorder","295211","2024-10-06","07:14:57",""
"1572560","6.8078","0.0018","31.102","0.008","12.122","0.003","90","","99.747","0.008","90","","2529.6","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O3 S -","- C31 H27 N O3 S -","- C124 H108 N4 O12 S4 -","4","1","","Sarkar, Deeptanu; Deswal, Shiksha; Chandra Das, Rohan; Biju, Akkattu T.","Lewis acid-catalyzed (3 + 2) annulation of bicyclobutanes with ynamides: access to 2-amino-bicyclo[2.1.1]hexenes.","Chemical science","2024","15","39","16243","16249","10.1039/d4sc03893b","","","0.71073","MoKα","","0.0475","0.0427","","","0.1056","0.1083","","","","","","1.097","","","","has coordinates","296397","2024-12-06","16:43:54",""
"1572561","9.8956","0.0005","10.1319","0.0005","11.9988","0.0009","90","","90","","90","","1203.01","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Spieß, Philipp; Brześkiewicz, Jakub; Maulide, Nuno","Deprotective Lossen rearrangement: a direct and general transformation of Nms-amides to unsymmetrical ureas.","Chemical science","2024","15","38","15799","15803","10.1039/d4sc04974h","","x-ray","0.71073","MoKα","","0.0477","0.0378","","","0.0813","0.0825","","","","","","1.048","","","","has coordinates","295208","2024-10-06","07:14:15",""
"1572562","21.3525","0.0012","8.6525","0.0005","11.7801","0.0008","90","","105.852","0.005","90","","2093.6","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C96 H96 N16 O16 -","4","1","","Spieß, Philipp; Brześkiewicz, Jakub; Maulide, Nuno","Deprotective Lossen rearrangement: a direct and general transformation of Nms-amides to unsymmetrical ureas.","Chemical science","2024","15","38","15799","15803","10.1039/d4sc04974h","","x-ray","1.54186","CuKα","","0.1117","0.0549","","","0.1138","0.147","","","","","","1.039","","","","has coordinates","295208","2024-10-06","07:14:15",""
"1572565","11.7578","0.0007","11.7959","0.0008","21.4886","0.0013","104.299","0.002","95.141","0.002","106.641","0.002","2725.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H21 Cl3 N2 Pt -","- C30.5 H21 Cl3 N2 Pt -","- C122 H84 Cl12 N8 Pt4 -","4","2","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0813","0.0475","","","0.0923","0.0994","","","","","","1.056","","","","has coordinates","295189","2024-10-06","07:05:50",""
"1572566","16.2246","0.0007","7.6549","0.0003","18.0393","0.0008","90","","109.503","0.001","90","","2111.89","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 N2 Pt -","- C30 H20 N2 Pt -","- C120 H80 N8 Pt4 -","4","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0168","0.0136","","","0.0302","0.0311","","","","","","1.058","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572567","18.29","0.003","7.4428","0.001","21.746","0.003","90","","114.056","0.004","90","","2703.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl4 N2 Pt -","- C31 H22 Cl4 N2 Pt -","- C124 H88 Cl16 N8 Pt4 -","4","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0923","0.0782","","","0.1605","0.1682","","","","","","1.298","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572568","14.9481","0.0007","8.4291","0.0004","21.4418","0.0011","90","","90","","90","","2701.6","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H24 Cl2 N2 Pt -","- C38 H24 Cl2 N2 Pt -","- C152 H96 Cl8 N8 Pt4 -","4","0.5","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0493","0.0345","","","0.0787","0.0876","","","","","","1.092","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572569","17.067","0.003","7.9171","0.0012","19.976","0.003","90","","101.319","0.004","90","","2646.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N2 Pt -","- C38 H24 N2 Pt -","- C152 H96 N8 Pt4 -","4","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0788","0.0509","","","0.1071","0.1211","","","","","","1.159","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572570","12.775","0.003","15.586","0.003","16.27","0.003","80.19","0.006","76.548","0.006","85.221","0.006","3101.4","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H52 Cl4 N4 Pt2 -","- C77 H52 Cl4 N4 Pt2 -","- C154 H104 Cl8 N8 Pt4 -","2","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.1096","0.0684","","","0.1691","0.2045","","","","","","1.037","","","","has coordinates,has disorder","295189","2024-10-06","07:05:51",""
"1572571","14.4996","0.0019","14.069","0.002","22.58","0.003","90","","90","","90","","4606.2","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H21 Cl N2 Pt -","- C30 H21 Cl N2 Pt -","- C240 H168 Cl8 N16 Pt8 -","8","2","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0376","0.0335","","","0.0699","0.0714","","","","","","1.241","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572572","21.839","0.003","19.399","0.003","16.667","0.002","90","","99.571","0.002","90","","6962.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.33 H24.66 Cl2.66 N2 Pt -","- C38.3315 H24.663 Cl2.663 N2 Pt -","- C306.652 H197.304 Cl21.304 N16 Pt8 -","8","2","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.1245","0.0831","","","0.1657","0.1945","","","","","","1.048","","","","has coordinates,has disorder","295189","2024-10-06","07:05:51",""
"1572573","16.1667","0.0007","13.9159","0.0005","18.6147","0.0008","90","","106.908","0.004","90","","4006.8","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H42 Br4 Mn P2 -","- C42 H42 Br4 Mn P2 -","- C168 H168 Br16 Mn4 P8 -","4","0.5","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.0492","0.03","","","0.0563","0.0602","","","","","","1.034","","","","has coordinates","296404","2024-12-06","16:46:17",""
"1572574","11.7943","0.0003","19.8244","0.0006","19.3722","0.0007","90","","94.116","0.001","90","","4517.8","0.2","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C45 H50 Br4 Mn O P2 -","- C45 H50 Br4 Mn O P2 -","- C180 H200 Br16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","","0.71073","MoKα","","0.0542","0.0412","","","0.0904","0.0993","","","","","","1.064","","","","has coordinates","296404","2024-12-06","16:46:17",""
"1572575","15.4957","0.001","33.2381","0.0011","16.6711","0.0005","90","","90","","90","","8586.4","0.7","101","1","101","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H46 Br4 Mn P2 -","- C44 H46 Br4 Mn P2 -","- C352 H368 Br32 Mn8 P16 -","8","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.1148","0.081","","","0.2132","0.2368","","","","","","1.047","","","","has coordinates,has disorder","296404","2024-12-06","16:46:17",""
"1572576","11.8477","0.0003","19.6629","0.0004","19.696","0.0004","90","","95.412","0.002","90","","4567.93","0.18","100.02","0.1","100.02","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H46 Br4 F4 Mn O P2 -","- C45 H46 Br4 F4 Mn O P2 -","- C180 H184 Br16 F16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.0452","0.0342","","","0.0707","0.0734","","","","","","1.046","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572577","11.5253","0.0002","19.8357","0.0003","20.0972","0.0003","90","","93.259","0.001","90","","4587.04","0.13","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H46 Br4 F4 Mn O P2 -","- C45 H46 Br4 F4 Mn O P2 -","- C180 H184 Br16 F16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.0327","0.0276","","","0.0545","0.0556","","","","","","1.036","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572578","13.6889","0.0006","16.4095","0.0007","18.7391","0.0008","90","","99.905","0.001","90","","4146.6","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Br4 F4 Mn P2 -","- C42 H38 Br4 F4 Mn P2 -","- C168 H152 Br16 F16 Mn4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","","1.34138","GaKα","","0.0437","0.0356","","","0.0931","0.0972","","","","","","1.099","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572579","12.0173","0.0001","13.3312","0.0001","27.318","0.0003","90","","102.66","0.001","90","","4270.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Br4 Mn P2 -","- C43 H44 Br4 Mn P2 -","- C172 H176 Br16 Mn4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","1.54184","CuKα","","0.0476","0.0433","","","0.1152","0.1181","","","","","","1.049","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572580","12.2655","0.0002","19.6016","0.0003","19.2241","0.0003","90","","96.361","0.001","90","","4593.47","0.13","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H46 Br4 F4 Mn O P2 -","- C45 H46 Br4 F4 Mn O P2 -","- C180 H184 Br16 F16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.04","0.0289","","","0.0578","0.0597","","","","","","1.052","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572592","9.7904","0.0014","13.791","0.002","14.347","0.002","90","","99.606","0.005","90","","1910","0.5","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N S2 -","- C20 H22 Cl N S2 -","- C80 H88 Cl4 N4 S8 -","4","1","","Patra, Koushik; Dey, Manas Pratim; Baidya, Mahiuddin","Metal-free site-selective functionalization with cyclic diaryl λ<sup>3</sup>-chloranes: suppression of benzyne formation for ligand-coupling reactions.","Chemical science","2024","15","40","16605","16611","10.1039/d4sc04108a","","","0.71073","MoKα","","0.081","0.062","","","0.1506","0.1619","","","","","","1.082","","","","has coordinates,has disorder","296423","2024-12-06","16:53:56",""
"1572593","17.9856","0.0009","7.6368","0.0003","23.5135","0.0013","90","","92.914","0.002","90","","3225.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl N -","- C20 H18 Cl N -","- C160 H144 Cl8 N8 -","8","1","","Patra, Koushik; Dey, Manas Pratim; Baidya, Mahiuddin","Metal-free site-selective functionalization with cyclic diaryl λ<sup>3</sup>-chloranes: suppression of benzyne formation for ligand-coupling reactions.","Chemical science","2024","15","40","16605","16611","10.1039/d4sc04108a","","","0.71073","MoKα","","0.0579","0.0449","","","0.1142","0.1235","","","","","","1.049","","","","has coordinates","296423","2024-12-06","16:53:57",""
"1572594","11.6034","0.0003","12.2578","0.0003","17.0531","0.0004","74.1121","0.001","85.164","0.0011","64.8014","0.001","2109.39","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H40 Cl2 N2 Os P2 S2 -","- C47 H40 Cl2 N2 Os P2 S2 -","- C94 H80 Cl4 N4 Os2 P4 S4 -","2","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0369","0.0292","","","0.0656","0.0686","","","","","","1.075","","","","has coordinates","295206","2024-10-06","07:13:48",""
"1572595","9.6569","0.0008","11.9102","0.0008","20.8069","0.0016","86.218","0.004","84.416","0.004","69.354","0.004","2227.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 B N2 Os P2 S4 -","- C50 H40 B N2 Os P2 S4 -","- C100 H80 B2 N4 Os2 P4 S8 -","2","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0649","0.039","","","0.069","0.0771","","","","","","1.03","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572596","9.516","0.003","19.737","0.007","19.416","0.006","90","","93.665","0.009","90","","3639","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 B N3 Os P S3 -","- C33 H29 B N3 Os P S3 -","- C132 H116 B4 N12 Os4 P4 S12 -","4","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0545","0.0378","","","0.0721","0.0787","","","","","","1.052","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572597","9.7769","0.0003","11.7895","0.0004","13.7966","0.0006","69.327","0.002","85.219","0.002","68.07","0.001","1378.05","0.09","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H25 B N2 O Os P S2 -","- C28 H26 B N2 O Os P S2 -","- C56 H52 B2 N4 O2 Os2 P2 S4 -","2","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0246","0.0177","","","0.0372","0.0441","","","","","","1.216","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572598","10.9773","0.0004","23.2835","0.0008","14.8343","0.0005","90","","103.877","0.0015","90","","3680.8","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 B N3 Os P S6 -","- C39 H29 B N3 Os P S6 -","- C156 H116 B4 N12 Os4 P4 S24 -","4","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0654","0.0402","","","0.0785","0.0868","","","","","","1.013","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572599","36.1185","0.0015","10.179","0.0004","28.0264","0.0012","90","","127.78","0.001","90","","8143.9","0.6","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 B Cl2 N3 Os P S6 -","- C40 H31 B Cl2 N3 Os P S6 -","- C320 H248 B8 Cl16 N24 Os8 P8 S48 -","8","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0592","0.0456","","","0.1014","0.1081","","","","","","1.093","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572600","10.7564","0.0005","12.6856","0.0003","10.7941","0.0005","90","","119.599","0.006","90","","1280.67","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Rb2InP2S7","","","- In2 P4 Rb4 S14 -","- In2 P4 Rb4 S14 -","- In4 P8 Rb8 S28 -","2","0.5","","Jiang, Lin-Tao; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Guo, Guo-Cong","Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates.","Chemical science","2024","15","41","17114","17119","10.1039/d4sc03683b","","","0.71073","MoKα","","0.0485","0.0399","","","0.0969","0.1005","","","","","","0.999","","","","has coordinates","296367","2024-12-06","16:26:17",""
"1572601","18.7064","0.0003","25.4567","0.0004","10.8159","0.0001","90","","90","","90","","5150.57","0.13","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","Rb2InP2S7","","","- In8 P16 Rb16 S56 -","- In8 P16 Rb16 S56 -","- In16 P32 Rb32 S112 -","2","0.125","","Jiang, Lin-Tao; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Guo, Guo-Cong","Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates.","Chemical science","2024","15","41","17114","17119","10.1039/d4sc03683b","","","0.71073","MoKα","","0.0193","0.0182","","","0.0441","0.0443","","","","","","1","","","","has coordinates","296367","2024-12-06","16:26:18",""
"1572602","10.9132","0.0005","13.1589","0.0004","10.964","0.0005","90","","119.511","0.006","90","","1370.22","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cs2InP2S7","","","- Ba0 Cl0 Cs4 In2 P4 S14 -","- Cs4 In2 P4 S14 -","- Cs8 In4 P8 S28 -","2","0.5","","Jiang, Lin-Tao; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Guo, Guo-Cong","Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates.","Chemical science","2024","15","41","17114","17119","10.1039/d4sc03683b","","","0.71073","MoKα","","0.0385","0.0356","","","0.0955","0.0972","","","","","","1.001","","","","has coordinates","296367","2024-12-06","16:26:18",""
"1572603","26.064","0.001","27.538","0.001","35.319","0.001","90","","91.118","0.002","90","","25345.4","1.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C165 H145.17 Au13 Cl2 N20 Na0.67 O24.42 -","- C165 H136.333 Au13 Cl2 N20 Na0.6667 O24.4167 -","- C660 H545.333 Au52 Cl8 N80 Na2.6668 O97.6668 -","4","1","","Yuan, Xiting; Ye, Zichen; Malola, Sami; Shekhah, Osama; Jiang, Hao; Hu, Xinyan; Wang, Jian-Xin; Wang, Hong; Shkurenko, Aleksander; Jia, Jiangtao; Guillerm, Vincent; Mohammed, Omar F.; Chen, Xiaolan; Zheng, Nanfeng; Häkkinen, Hannu; Eddaoudi, Mohamed","Synthesis and crystallization of a carboxylate functionalized <i>N</i>-heterocyclic carbene-based Au<sub>13</sub> cluster with strong photo-luminescence.","Chemical science","2024","15","39","16112","16117","10.1039/d4sc04594g","","","1.54178","CuKα","","0.081","0.0615","","","0.186","0.2176","","","","","","1.038","","","","has coordinates,has disorder","296396","2024-12-06","16:43:34",""
"1572604","23.977","0.005","8.9117","0.0016","7.7036","0.0015","90","","101.973","0.005","90","","1610.3","0.5","273","","273","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 Br3 F N Pb -","- C10 H15 Br3 F N Pb -","- C40 H60 Br12 F4 N4 Pb4 -","4","1","","Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi","The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.","Chemical science","2024","15","40","16612","16617","10.1039/d4sc03571b","","","0.71073","MoKα","","0.1001","0.0347","","","0.0627","0.0845","","","","","","0.957","","","","has coordinates","296429","2024-12-06","16:57:53",""
"1572605","23.5064","0.0018","8.9668","0.0005","6.8118","0.0004","90","","98.299","0.007","90","","1420.74","0.16","420","0.2","420","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Br3 F N Pb -","- C10 H15 Br3 F N Pb -","- C40 H60 Br12 F4 N4 Pb4 -","4","0.5","","Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi","The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.","Chemical science","2024","15","40","16612","16617","10.1039/d4sc03571b","","x-ray","0.71073","MoKα","","0.1039","0.0852","","","0.2754","0.3068","","","","","","1.089","","","","has coordinates,has disorder","296429","2024-12-06","16:57:54",""
"1572606","23.11","0.003","9.609","0.0013","26.851","0.004","90","","106.99","0.014","90","","5702.4","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 Br5 N2 Pb1.5 -","- C20 Br5 N2 Pb1.5 -","- C160 Br40 N16 Pb12 -","8","1","","Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi","The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.","Chemical science","2024","15","40","16612","16617","10.1039/d4sc03571b","","x-ray","0.71073","MoKα","","0.1246","0.0648","","","0.128","0.1419","","","","","","1.033","","","","has coordinates","296429","2024-12-06","16:57:54",""
"1572616","5.3552","0.0006","11.2241","0.0013","33.85","0.004","90","","90","","90","","2034.6","0.4","304","2","304","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MUAFO","MUAFO","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Haridas, V.; Maurya, Govind P.; Dutta, Souvik","Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.","Chemical science","2024","15","41","16908","16916","10.1039/d4sc04023f","","","0.71073","MoKα","","0.1051","0.0532","","","0.1078","0.126","","","","","","1.017","","","","has coordinates","296362","2024-12-06","16:23:38",""
"1572617","5.3547","0.0002","11.2231","0.0004","33.8405","0.0011","90","","90","","90","","2033.69","0.12","302","2","302","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","dMUAFO","dMUAFO","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Haridas, V.; Maurya, Govind P.; Dutta, Souvik","Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.","Chemical science","2024","15","41","16908","16916","10.1039/d4sc04023f","","","0.71073","MoKα","","0.1112","0.0508","","","0.0994","0.1207","","","","","","1","","","","has coordinates","296362","2024-12-06","16:23:38",""
"1572618","12.7958","0.0003","12.7958","0.0003","26.2968","0.0012","90","","90","","120","","3728.8","0.2","150","2","150","2","","","","","","","","4","P 65","P 65","170","MUFFO","MUFFO","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C156 H162 N18 O24 -","6","1","","Haridas, V.; Maurya, Govind P.; Dutta, Souvik","Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.","Chemical science","2024","15","41","16908","16916","10.1039/d4sc04023f","","","0.71073","MoKα","","0.0385","0.0331","","","0.0791","0.083","","","","","","1.057","","","","has coordinates","296362","2024-12-06","16:23:38",""
"1572619","22.864","0.001","35.6826","0.0012","3.7147","0.0001","90","","91.622","0.003","90","","3029.41","0.19","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","HOF-PTBA","","- C48 H28 O8 -","- C48 H28 O8 -","- C96 H56 O16 -","2","0.25","","Di, Zhengyi; Qi, Yu; Yu, Xin-Xin; Li, Hai-Ruo; Zuo, Meng-Xuan; Ren, Tian-Tian; Li, Cheng-Peng; Zhao, Yanli","Facile and scale-up syntheses of high-performance enzyme@meso-HOF biocatalysts.","Chemical science","2024","15","41","16987","16996","10.1039/d4sc04619f","","","1.54184","CuKα","","0.0754","0.0668","","","0.1993","0.2112","","","","","","1.026","","","","has coordinates","296364","2024-12-06","16:24:16",""
"1572620","29.2025","0.0013","6.5188","0.0002","23.6035","0.0011","90","","116.637","0.001","90","","4016.4","0.3","170","2","170","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 O12 -","- C44 H52 O12 -","- C176 H208 O48 -","4","0.5","","Zhu, Weijie; Zhao, Bohan; Fang, Shuai; Zhu, Huangtianzhi; Huang, Feihe","An anthracene-containing crown ether: synthesis, host-guest properties and modulation of solid state luminescence.","Chemical science","2024","15","39","16300","16306","10.1039/d4sc05077k","","","0.71073","MoKα","","0.0569","0.0422","","","0.1061","0.1178","","","","","","1.045","","","","has coordinates","296395","2024-12-06","16:43:07",""
"1572621","13.1957","0.0008","19.8927","0.0013","9.9873","0.0006","90","","112.009","0.004","90","","2430.6","0.3","277","","277","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 N4 O10 -","- C54 H50 N4 O10 -","- C108 H100 N8 O20 -","2","0.5","","Zhu, Weijie; Zhao, Bohan; Fang, Shuai; Zhu, Huangtianzhi; Huang, Feihe","An anthracene-containing crown ether: synthesis, host-guest properties and modulation of solid state luminescence.","Chemical science","2024","15","39","16300","16306","10.1039/d4sc05077k","","","1.34139","GaKα","","0.1985","0.1237","","","0.2647","0.303","","","","","","1.06","","","","has coordinates,has disorder","296395","2024-12-06","16:43:07",""
"1572622","7.7436","0.0017","9.132","0.002","12.604","0.003","108.398","0.004","91.815","0.004","108.545","0.004","793.1","0.3","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.75 H1.75 Cd0.25 N0.75 O1.75 S0.25 -","- C3.75 H1.75 Cd0.25 N0.75 O1.75 S0.25 -","- C30 H14 Cd2 N6 O14 S2 -","8","4","","Ma, Lin; Zhang, Tiexin; Li, Mochen; Zhang, Xu; Li, Lanqiao; Shi, Yusheng; Cai, Rui; Yang, Xueming; Duan, Chunying","Electron transport chain-inspired coordination polymers for macroscopic spatiotemporal scales of charge separation and transport in photocatalysis.","Chemical science","2024","15","41","17150","17160","10.1039/d4sc05592f","","","0.71073","MoKα","","0.0755","0.0513","","","0.1016","0.1095","","","","","","1.082","","","","has coordinates,has disorder","296369","2024-12-06","16:28:44",""
"1572623","9.8187","0.0001","13.4677","0.0001","20.2736","0.0001","90","","103.365","0.001","90","","2608.28","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B Cl4 Cu N2 O2 -","- C24 H26 B Cl4 Cu N2 O2 -","- C96 H104 B4 Cl16 Cu4 N8 O8 -","4","1","","Chen, Ting-An; Staples, Richard J.; Warren, Timothy H.","Copper catalyzed benzylic sp<sup>3</sup> C-H alkenylation.","Chemical science","2024","15","42","17685","17690","10.1039/d4sc03430a","","x-ray","1.54184","CuKα","","0.0322","0.0305","","","0.0803","0.0813","","","","","","1.075","","","","has coordinates","296389","2024-12-06","16:38:47",""
"1572624","17.6807","0.0002","16.85029","0.00018","20.0632","0.0002","90","","92.0395","0.001","90","","5973.54","0.11","99.9","0.5","99.9","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 Cu2 F12 N4 -","- C62 H76 Cu2 F12 N4 -","- C248 H304 Cu8 F48 N16 -","4","0.5","","Chen, Ting-An; Staples, Richard J.; Warren, Timothy H.","Copper catalyzed benzylic sp<sup>3</sup> C-H alkenylation.","Chemical science","2024","15","42","17685","17690","10.1039/d4sc03430a","","x-ray","1.54184","CuKα","","0.038","0.0371","","","0.0921","0.0928","","","","","","1.058","","","","has coordinates,has disorder","296389","2024-12-06","16:38:48",""
"1572625","14.9701","0.0003","24.0962","0.0006","15.7004","0.0004","90","","116.04","0.001","90","","5088.6","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53.64 H68.34 Cl2.02 N9 O3.43 -","- C53.639 H68.338 Cl2.024 N9 O3.434 -","- C214.556 H273.352 Cl8.096 N36 O13.736 -","4","1","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","x-ray","1.54178","CuKα","","0.0506","0.048","","","0.1308","0.1331","","","","","","1.036","","","","has coordinates,has disorder","296401","2024-12-06","16:45:16",""
"1572626","14.9459","0.0006","15.2203","0.0007","18.4006","0.0008","67.614","0.003","81.558","0.003","68.56","0.003","3602.4","0.3","107","","107","","","","","","","","","6","P -1","-P 1","2","","","","- C57.3 H75.9 Cl3 N9 O12.41 S1.65 -","- C57.3 H75.9 Cl3 N9 O12.4166 S1.65 -","- C114.6 H151.8 Cl6 N18 O24.8332 S3.3 -","2","1","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","","1.54178","CuKα","","0.1968","0.1361","","","0.3432","0.3934","","","","","","1.295","","","","has coordinates,has disorder","296401","2024-12-06","16:45:17",""
"1572627","13.046","0.001","25.708","0.002","27.482","0.002","113.091","0.005","99.699","0.005","92.773","0.005","8290.6","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64.2 H67 F15.31 N9 O17.7 -","- C64.205 H67 F15.3075 N9 O17.705 -","- C256.82 H268 F61.23 N36 O70.82 -","4","2","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","","1.54178","CuKα","","0.1366","0.1091","","","0.306","0.3349","","","","","","1.367","","","","has coordinates,has disorder","296401","2024-12-06","16:45:17",""
"1572628","14.8832","0.0002","32.8405","0.0005","15.324","0.0002","90","","102.804","0.0007","90","","7303.69","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65.04 H85.33 I3 N14.52 O8.39 -","- C65.038 H85.337 I3 N14.519 O8.385 -","- C260.152 H341.348 I12 N58.076 O33.54 -","4","1","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","x-ray","1.54178","CuKα","","0.0367","0.0355","","","0.1003","0.1012","","","","","","1.039","","","","has coordinates,has disorder","296401","2024-12-06","16:45:17",""
"1572629","20.3056","0.0008","22.3996","0.0009","37.5185","0.0012","82.015","0.003","84.918","0.003","83.158","0.003","16733.9","1.1","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C264.23 H177.12 Ag20 Au Cu12 F68.11 P5.75 S26 -","- C264.2 H177.09 Ag20 Au Cu12 F68.11 P5.75 S26 -","- C528.4 H354.18 Ag40 Au2 Cu24 F136.22 P11.5 S52 -","2","1","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","x-ray","1.54186","CuKα","","0.1303","0.0997","","","0.2746","0.3009","","","","","","1.015","","","","has coordinates,has disorder","296428","2024-12-06","16:57:33",""
"1572630","34.523","0.004","34.523","0.004","82.326","0.009","90","","90","","120","","84974","17","120","","120","","","","","","","","","9","R -3 :H","-R 3","148","","","","- C864 H588 Ag56 Au4 Cl Cu40 F216 P20 S72 -","- C864 H588 Ag56 Au4 Cl Cu40 F216 P20 S72 -","- C2592 H1764 Ag168 Au12 Cl3 Cu120 F648 P60 S216 -","3","0.166667","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","x-ray","1.54186","CuKα","","0.1489","0.0954","","","0.2882","0.3291","","","","","","1.023","","","","has coordinates,has disorder","296428","2024-12-06","16:57:33",""
"1572631","28.6272","0.0009","28.6272","0.0009","108.574","0.005","90","","90","","120","","77057","5","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C336 H225 Ag26 Cu17 F90 P7 S30 -","- C336 H225 Ag26 Cu17 F90 P7 S30 -","- C2016 H1350 Ag156 Cu102 F540 P42 S180 -","6","0.333333","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","x-ray","1.54186","CuKα","","0.0544","0.043","","","0.1223","0.1309","","","","","","1.024","","","","has coordinates,has disorder","296428","2024-12-06","16:57:33",""
"1572632","41.4184","0.0015","29.7952","0.0015","47.331","0.002","90","","91.097","0.003","90","","58399","4","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C372 H255 Ag27 Au2 Cl14 Cu28 F90 P9 S33 -","- C372 H255 Ag27 Au2 Cl14 Cu28 F90 P9 S33 -","- C1488 H1020 Ag108 Au8 Cl56 Cu112 F360 P36 S132 -","4","1","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","","1.54186","CuKα","","0.1678","0.0708","","","0.1744","0.2025","","","","","","0.713","","","","has coordinates","296428","2024-12-06","16:57:33",""
"1572633","49.3794","0.0003","49.3794","0.0003","28.6911","0.0005","90","","90","","120","","60585.6","1.2","100","0.1","100","0.1","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C384 H348 N30 Zn6 -","- C384 H348 N30 Zn6 -","- C1536 H1392 N120 Zn24 -","4","0.333333","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.132","0.1041","","","0.3224","0.3558","","","","","","1.067","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572634","49.745","0.00017","49.745","0.00017","55.2247","0.0004","90","","90","","120","","118348","1","100","0.1","100","0.1","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C384 H348 N30 Zn6 -","- C384 H348 N30 Zn6 -","- C3072 H2784 N240 Zn48 -","8","0.666667","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.1759","0.1474","","","0.4219","0.4794","","","","","","1.028","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572635","20.6135","0.0002","38.7108","0.0003","39.1085","0.0004","81.878","0.001","80.21","0.001","74.897","0.001","29535.9","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C390 H352 Cl2 N30 Zn6 -","- C390 H352 Cl2 N30 Zn6 -","- C780 H704 Cl4 N60 Zn12 -","2","1","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.2045","0.1815","","","0.5064","0.5353","","","","","","1.03","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572636","20.1388","0.0003","53.4956","0.0007","31.8306","0.0004","90","","106.792","0.001","90","","32830.1","0.8","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C240 H172 Cl8 N12 -","- C240 H172 Cl8 N12 -","- C960 H688 Cl32 N48 -","4","0.5","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.1626","0.1395","","","0.4051","0.4512","","","","","","1.016","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572637","13.4271","0.0005","13.9487","0.0004","19.3551","0.0008","102.551","0.003","105.385","0.004","106.129","0.003","3187.5","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H65 B N2 -","- C70 H65 B N2 -","- C140 H130 B2 N4 -","2","1","","Wang, Jingxiang; Chen, Dongyang; Moreno-Naranjo, Juan Manuel; Zinna, Francesco; Frédéric, Lucas; Cordes, David B.; McKay, Aidan P.; Fuchter, Matthew J.; Zhang, Xiaohong; Zysman-Colman, Eli","Helically chiral multiresonant thermally activated delayed fluorescent emitters and their use in hyperfluorescent organic light-emitting diodes.","Chemical science","2024","15","41","16917","16927","10.1039/d4sc03478c","","x-ray","0.71073","MoKα","","0.1386","0.0983","","","0.2922","0.3208","","","","","","1.027","","","","has coordinates","296366","2024-12-06","16:26:05",""
"1572638","10.53694","0.00004","20.05694","0.00009","33.47918","0.00014","90","","90","","90","","7075.45","0.05","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C89 H90 B N3 O2 -","- C89 H90 B N3 O2 -","- C356 H360 B4 N12 O8 -","4","1","","Wang, Jingxiang; Chen, Dongyang; Moreno-Naranjo, Juan Manuel; Zinna, Francesco; Frédéric, Lucas; Cordes, David B.; McKay, Aidan P.; Fuchter, Matthew J.; Zhang, Xiaohong; Zysman-Colman, Eli","Helically chiral multiresonant thermally activated delayed fluorescent emitters and their use in hyperfluorescent organic light-emitting diodes.","Chemical science","2024","15","41","16917","16927","10.1039/d4sc03478c","","x-ray","1.54184","CuKα","","0.0382","0.0371","","","0.102","0.1038","","","","","","1.024","","","","has coordinates,has disorder","296366","2024-12-06","16:26:05",""
"1572639","15.7586","0.0007","19.2635","0.0007","14.1296","0.0005","90","","90","","90","","4289.3","0.3","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Au O2.5 P -","- C24 H28 Au O2.5 P -","- C192 H224 Au8 O20 P8 -","8","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0427","0.0245","","","0.0457","0.0508","","","","","","1.016","","","","has coordinates,has disorder","296427","2024-12-06","16:55:51",""
"1572640","11.279","0.004","13.765","0.003","29.733","0.009","90","","94.479","0.014","90","","4602","2","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H65 Au B9 Cl N4 O2 P2 -","- C32.5 H65 Au B9 Cl N4 O2 P2 -","- C130 H260 Au4 B36 Cl4 N16 O8 P8 -","4","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0827","0.071","","","0.1569","0.1619","","","","","","1.199","","","","has coordinates,has disorder","296427","2024-12-06","16:55:54",""
"1572641","10.7611","0.0007","14.4997","0.0009","13.7734","0.0008","90","","98.291","0.002","90","","2126.6","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Au Cl2 O2 P -","- C22 H22 Au Cl2 O2 P -","- C88 H88 Au4 Cl8 O8 P4 -","4","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0202","0.0153","","","0.0359","0.0373","","","","","","1.042","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572642","19.4759","0.0013","17.3049","0.0011","10.6632","0.0006","90","","102.725","0.002","90","","3505.5","0.4","193","2","193","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C19 H46 Au B9 Cl5 N4 P2 -","- C19 H46 Au B9 Cl5 N4 P2 -","- C76 H184 Au4 B36 Cl20 N16 P8 -","4","0.5","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0462","0.0386","","","0.1062","0.1107","","","","","","1.087","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572643","28.7347","0.0009","28.7347","0.0009","20.9068","0.001","90","","90","","120","","14949.7","1","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.32 H43.3 Au O2.33 P -","- C31.32 H43.3 Au O2.33 P -","- C563.76 H779.4 Au18 O41.94 P18 -","18","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.044","0.0294","","","0.0682","0.0766","","","","","","1.068","","","","has coordinates,has disorder","296427","2024-12-06","16:55:54",""
"1572644","9.5342","0.0008","17.6708","0.0015","10.3038","0.0009","90","","95.66","0.002","90","","1727.5","0.3","192","2","192","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H49 Au B9 N4 O2 P2 -","- C24 H49 Au B9 N4 O2 P2 -","- C48 H98 Au2 B18 N8 O4 P4 -","2","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.044","0.0331","","","0.0694","0.0732","","","","","","1.024","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572645","15.3901","0.0011","15.6458","0.0009","19.214","0.0011","90","","90","","90","","4626.5","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Au Cl4 O2 P -","- C22 H20 Au Cl4 O2 P -","- C176 H160 Au8 Cl32 O16 P8 -","8","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","x-ray","1.54178","CuKα","","0.0247","0.0219","","","0.052","0.0534","","","","","","1.12","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572646","20.6538","0.0002","25.2668","0.0002","25.4854","0.0002","119.028","0.001","90.191","0.001","112.348","0.001","10461.4","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","potassium pivaloylmethanate","","- C90 H161.64 K6 O18 -","- C90 H161.639 K6 O18 -","- C360 H646.558 K24 O72 -","4","2","","Masero, Fabio; Mougel, Victor","Chemical and redox non-innocence in low-valent molybdenum β diketonate complexes: novel pathways for CO<sub>2</sub> and CS<sub>2</sub> activation.","Chemical science","2024","15","41","16954","16965","10.1039/d4sc03496a","","x-ray","1.54184","CuKα","","0.1187","0.0949","","","0.2747","0.2996","","","","","","1.058","","","","has coordinates,has disorder","296363","2024-12-06","16:24:00",""
"1572647","12.3218","0.0004","15.3674","0.0005","20.1514","0.0006","90","","90","","90","","3815.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Br2 Mn O2 P2 -","- C44 H32 Br2 Mn O2 P2 -","- C176 H128 Br8 Mn4 O8 P8 -","4","1","","Kong, De-Hao; Wu, Yue; Shi, Cui-Mi; Zeng, Hao; Xu, Liang-Jin; Chen, Zhong-Ning","Highly efficient circularly polarized electroluminescence based on chiral manganese(ii) complexes.","Chemical science","2024","15","40","16698","16704","10.1039/d4sc04748f","","","1.54178","CuKα","","0.0241","0.0238","","","0.057","0.0572","","","","","","1.061","","","","has coordinates","296425","2024-12-06","16:54:46",""
"1572648","12.2709","0.0005","15.4159","0.0006","20.1625","0.0008","90","","90","","90","","3814.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Br2 Mn O2 P2 -","- C44 H32 Br2 Mn O2 P2 -","- C176 H128 Br8 Mn4 O8 P8 -","4","1","","Kong, De-Hao; Wu, Yue; Shi, Cui-Mi; Zeng, Hao; Xu, Liang-Jin; Chen, Zhong-Ning","Highly efficient circularly polarized electroluminescence based on chiral manganese(ii) complexes.","Chemical science","2024","15","40","16698","16704","10.1039/d4sc04748f","","","1.54178","CuKα","","0.055","0.0499","","","0.1288","0.1325","","","","","","1.035","","","","has coordinates","296425","2024-12-06","16:54:48",""
"1572662","11.1755","0.0013","29.096","0.003","18.61","0.002","90","","105.731","0.005","90","","5824.6","1.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C77 H61 Cu N2 -","- C77 H61 Cu N2 -","- C308 H244 Cu4 N8 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.052","0.0415","","","0.1054","0.114","","","","","","1.032","","","","has coordinates","296386","2024-12-06","16:37:33",""
"1572663","14.7045","0.0014","25.388","0.002","19.6946","0.0017","90","","94.099","0.004","90","","7333.5","1.1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H75 Cu F2 N2 O S -","- C95 H75 Cu F2 N2 O S -","- C380 H300 Cu4 F8 N8 O4 S4 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0874","0.0799","","","0.1813","0.1857","","","","","","1.105","","","","has coordinates,has disorder","296386","2024-12-06","16:37:42",""
"1572664","14.389","0.006","19.498","0.009","25.095","0.011","88.045","0.01","89.523","0.012","84.392","0.012","7003","5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C87 H79 Cl2 Cu N2 O3 -","- C87 H79 Cl2 Cu N2 O3 -","- C348 H316 Cl8 Cu4 N8 O12 -","4","2","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0611","0.0534","","","0.1322","0.1375","","","","","","1.045","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572665","33.633","0.003","12.0225","0.0012","14.4644","0.0015","90","","90","","90","","5848.7","1","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C77 H61 Cu N2 O2 -","- C77 H61 Cu N2 O2 -","- C308 H244 Cu4 N8 O8 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0244","0.0239","","","0.065","0.0654","","","","","","1.034","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572666","17.6667","0.0015","23.566","0.002","34.121","0.003","90","","90","","90","","14206","2","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H69 Cu F2 N2 O3 -","- C90 H69 Cu F2 N2 O3 -","- C720 H552 Cu8 F16 N16 O24 -","8","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0644","0.046","","","0.1031","0.1129","","","","","","1.134","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572667","21.973","0.0003","19.4588","0.0004","45.8368","0.0009","90","","90","","90","","19598.4","0.6","100","2","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H66 Cu2 Fe2 P4 -","- C84 H66 Cu2 Fe2 P4 -","- C1008 H792 Cu24 Fe24 P48 -","12","1.5","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0488","0.0443","","","0.106","0.1087","","","","","","1.16","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572668","11.1609","0.0007","22.9772","0.0009","24.3876","0.0009","90","","93.141","0.002","90","","6244.7","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H67 Cu N2 O -","- C84 H67 Cu N2 O -","- C336 H268 Cu4 N8 O4 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0572","0.0528","","","0.1329","0.1355","","","","","","1.059","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572669","13.2312","0.0012","13.3247","0.0012","23.32","0.002","86.812","0.003","83.797","0.003","63.701","0.003","3664.1","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C95.25 H79.51 Cu F2 N2 O -","- C95.248 H79.512 Cu F2 N2 O -","- C190.496 H159.024 Cu2 F4 N4 O2 -","2","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.049","0.0452","","","0.1173","0.1202","","","","","","1.019","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572670","11.1621","0.0006","28.8506","0.0019","18.6601","0.0012","90","","105.503","0.002","90","","5790.5","0.6","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H59 Cu N2 S -","- C75 H59 Cu N2 S -","- C300 H236 Cu4 N8 S4 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0392","0.0362","","","0.0993","0.1017","","","","","","1.021","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572671","13.262","0.0008","13.3089","0.0008","23.2168","0.0014","86.485","0.002","83.009","0.002","63.633","0.002","3644.1","0.4","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C93.21 H73.75 Cl2 Cu F2 N2 O -","- C93.209 H73.746 Cl2 Cu F2 N2 O -","- C186.418 H147.492 Cl4 Cu2 F4 N4 O2 -","2","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0414","0.0391","","","0.0992","0.1009","","","","","","1.049","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572672","13.6127","0.0007","24.0012","0.001","26.5094","0.0014","90","","90.423","0.002","90","","8660.9","0.7","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C452 H344 Cu8 P16 -","- C440 H320 Cu8 P16 -","- C440 H320 Cu8 P16 -","1","0.5","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0312","0.0292","","","0.0742","0.0752","","","","","","1.019","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572675","12.778","0.005","16.435","0.005","21.845","0.005","82.66","0.005","82.881","0.005","80.64","0.005","4464","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H105 Fe2 N15 O14 -","- C94 H105 Fe2 N15 O14 -","- C188 H210 Fe4 N30 O28 -","2","1","","Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad","Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.","Chemical science","2024","15","42","17407","17417","10.1039/d4sc05432f","","","0.71069","MoKα","","0.1281","0.0699","","","0.1499","0.1769","","","","","","1.021","","","","has coordinates,has disorder","296388","2024-12-06","16:38:28",""
"1572676","24.4285","0.0014","17.2727","0.0014","23.7474","0.0015","90","","98.248","0.003","90","","9916.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H143 Fe2 N9 O2 -","- C110 H143 Fe2 N9 O2 -","- C440 H572 Fe8 N36 O8 -","4","0.5","","Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad","Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.","Chemical science","2024","15","42","17407","17417","10.1039/d4sc05432f","","","0.71073","MoKα","","0.0442","0.0352","","","0.0842","0.0902","","","","","","1.061","","","","has coordinates","296388","2024-12-06","16:38:29",""
"1572677","34.122","0.003","14.8098","0.0017","35.216","0.004","90","","100.218","0.01","90","","17514","3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C94 H101 F10 Fe2 N9 O2 -","- C94 H101 F10 Fe2 N9 O2 -","- C752 H808 F80 Fe16 N72 O16 -","8","1","","Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad","Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.","Chemical science","2024","15","42","17407","17417","10.1039/d4sc05432f","","","0.71073","MoKα","","0.1726","0.0821","","","0.1846","0.2435","","","","","","1.013","","","","has coordinates","296388","2024-12-06","16:38:29",""
"1572691","21.073","0.006","6.658","0.002","21.467","0.006","90","","117.635","0.006","90","","2668.3","1.3","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1202_GT_iboga_Wayama","","- C27 H34 N2 O5 Si -","- C27 H34 N2 O5 Si -","- C108 H136 N8 O20 Si4 -","4","1","","Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki","Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.","Chemical science","2024","15","38","15599","15609","10.1039/d4sc02597k","","","0.71073","MoKα","","0.2993","0.0879","","","0.2275","0.3378","","","","","","0.893","","","","has coordinates","295202","2024-10-06","07:12:58",""
"1572692","10.9336","0.0004","17.7838","0.0005","13.0108","0.0004","90","","102.254","0.003","90","","2472.19","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 Cl2 Fe N7 P3 -","- C19 H30 Cl2 Fe N7 P3 -","- C76 H120 Cl8 Fe4 N28 P12 -","4","1","","Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki","Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.","Chemical science","2024","15","38","15599","15609","10.1039/d4sc02597k","","","0.71073","MoKα","","0.0385","0.0307","","","0.075","0.079","","","","","","1.037","","","","has coordinates","295202","2024-10-06","07:12:59",""
"1572693","10.4706","0.0018","11.081","0.002","18.106","0.003","90","","97.388","0.004","90","","2083.3","0.6","109","","109","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bowl-type scaffold","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","","Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki","Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.","Chemical science","2024","15","38","15599","15609","10.1039/d4sc02597k","","","0.71073","MoKα","","0.1976","0.0772","","","0.1655","0.2437","","","","","","0.955","","","","has coordinates","295202","2024-10-06","07:12:59",""
"1572697","20.291","0.002","5.8861","0.0006","14.4945","0.0014","90","","128.653","0.004","90","","1351.9","0.2","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu","Flexible organic crystals with multi-stimuli-responsive CPL for broadband multicolor optical waveguides.","Chemical science","2024","15","42","17444","17452","10.1039/d4sc05005c","","","1.54178","CuKα","","0.0528","0.0431","","","0.1078","0.1179","","","","","","1.046","","","","has coordinates","296385","2024-12-06","16:36:48",""
"1572698","20.0857","0.0012","5.8189","0.0004","14.3076","0.0009","90","","128.517","0.002","90","","1308.39","0.15","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu","Flexible organic crystals with multi-stimuli-responsive CPL for broadband multicolor optical waveguides.","Chemical science","2024","15","42","17444","17452","10.1039/d4sc05005c","","","1.54178","CuKα","","0.0428","0.0401","","","0.0975","0.1005","","","","","","1.082","","","","has coordinates","296385","2024-12-06","16:36:49",""
"1572699","12.704","0.004","13.535","0.004","14.921","0.003","90","","90","","90","","2565.6","1.2","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 N4 Si Zn -","- C14 H18 F6 N4 Si Zn -","- C56 H72 F24 N16 Si4 Zn4 -","4","0.5","","O'Hearn, Daniel J; Sensharma, Debobroto; Raza, Asif; Bezrukov, Andrey A.; Vandichel, Matthias; Mukherjee, Soumya; Zaworotko, Michael J.","Crystal engineering of a new platform of hybrid ultramicroporous materials and their C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation properties.","Chemical science","2024","15","43","17937","17943","10.1039/d4sc03029j","","","1.54184","CuKα","","0.1088","0.0709","","","0.1692","0.1914","","","","","","0.979","","","","has coordinates","296372","2024-12-06","16:30:55",""
"1572700","16.713","0.0015","8.6188","0.001","9.356","0.0008","90","","103.976","0.009","90","","1307.8","0.2","240","0.1","240","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DTST","","- C26 H20 N4 O4 S2 -","- C26 H20 N4 O4 S2 -","- C52 H40 N8 O8 S4 -","2","0.5","","Sun, Hui-Li; Zhang, Qiang-Sheng; Wang, Zhong-Hao; Huang, Yan-Ting; Pan, Mei","Long-persistent luminescence by host-guest Förster resonance energy transfer.","Chemical science","2024","15","42","17600","17607","10.1039/d4sc04746j","","x-ray","1.54184","CuKα","","0.0535","0.0471","","","0.1245","0.131","","","","","","1.116","","","","has coordinates","296391","2024-12-06","16:39:18",""
"1572701","8.589","0.0005","13.184","0.0008","39.0756","0.0017","90","","90","","90","","4424.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","DPDA","","- C25 H18 N3 O7 -","- C25 H18 N3 O7 -","- C200 H144 N24 O56 -","8","1","","Sun, Hui-Li; Zhang, Qiang-Sheng; Wang, Zhong-Hao; Huang, Yan-Ting; Pan, Mei","Long-persistent luminescence by host-guest Förster resonance energy transfer.","Chemical science","2024","15","42","17600","17607","10.1039/d4sc04746j","","x-ray","1.54184","CuKα","","0.0702","0.0489","","","0.1236","0.1362","","","","","","1.042","","","","has coordinates","296391","2024-12-06","16:39:18",""
"1572702","9.0653","0.0002","8.3658","0.0002","20.4585","0.0005","90","","94.228","0.002","90","","1547.32","0.06","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C32 H36 Br2 N2 O4 -","- C32 H36 Br2 N2 O4 -","- C64 H72 Br4 N4 O8 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.54184","CuKα","","0.0765","0.0753","","","0.208","0.2102","","","","","","1.072","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572703","8.6414","0.0004","10.489","0.0005","11.9877","0.0006","90","","95.388","0.002","90","","1081.76","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","Synchrotron","GaKα","0.0526","0.05","","","0.1304","0.1333","","","","","","1.051","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572704","11.676","0.0005","9.3251","0.0004","13.9069","0.0005","90","","93.036","0.001","90","","1512.06","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 Br2 N2 O4 -","- C32 H36 Br2 N2 O4 -","- C64 H72 Br4 N4 O8 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","Synchrotron","GaKα","0.0289","0.0279","","","0.0687","0.0693","","","","","","1.046","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1572705","15.9463","0.0003","15.9463","0.0003","35.1878","0.0011","90","","90","","90","","8947.7","0.4","170","2","170","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C48 H48 Cl3.5 F2 N4 -","- C48 H48 Cl3.5 F2 N4 -","- C384 H384 Cl28 F16 N32 -","8","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","","0.71073","MoKα","","0.0889","0.0757","","","0.2198","0.2383","","","","","","1.072","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1572706","13.8368","0.0013","22.1444","0.0019","17.5091","0.0016","90","","110.064","0.004","90","","5039.3","0.8","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C119 H140 N8 O13 -","- C119 H140 N8 O13 -","- C238 H280 N16 O26 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","","1.34139","GaKα","","0.0962","0.0676","","","0.169","0.1908","","","","","","1.09","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1572707","15.9913","0.0015","19.7892","0.0019","21.961","0.002","112.136","0.004","107.694","0.004","95.621","0.004","5952.5","1","170","2","170","","","","","","","","","5","P 1","P 1","1","","","","- C104 H110 Br4 N10 O10 -","- C104 H110 Br4 N10 O10 -","- C208 H220 Br8 N20 O20 -","2","2","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","GaKα","","0.1033","0.0674","","","0.1804","0.2034","","","","","","0.947","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572708","40.326","0.002","20.5209","0.0011","16.032","0.0009","90","","110.733","0.002","90","","12407.7","1.2","170","","170","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C103 H104 Br4 Cl2 N10 O8 -","- C103 H104 Br4 Cl2 N10 O8 -","- C412 H416 Br16 Cl8 N40 O32 -","4","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","GaKα","","0.1158","0.0713","","","0.1911","0.2218","","","","","","0.959","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572709","41.3673","0.0006","24.2477","0.0003","9.2397","0.0002","90","","90","","90","","9268","0.3","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C96 H49 Bi2 Co2 N8 O16 -","- C96 H50 Bi2 Co2 N8 O18 -","- C384 H200 Bi8 Co8 N32 O72 -","4","1","","He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu","Boosting photothermal conversion through array aggregation of metalloporphyrins in bismuth-based coordination frameworks.","Chemical science","2024","15","42","17498","17505","10.1039/d4sc04063e","","x-ray","1.3405","GaKα","","0.0637","0.0607","","","0.1525","0.1545","","","","","","1.047","","","","has coordinates","296384","2024-12-06","16:36:38",""
"1572710","41.7558","0.0005","24.304","0.0003","9.2689","0.0001","90","","90","","90","","9406.39","0.19","199.99","0.1","199.99","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C96 Bi2 N8 Ni2 O16 -","- C96 Bi2 N8 Ni2 O16 -","- C384 Bi8 N32 Ni8 O64 -","4","1","","He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu","Boosting photothermal conversion through array aggregation of metalloporphyrins in bismuth-based coordination frameworks.","Chemical science","2024","15","42","17498","17505","10.1039/d4sc04063e","","x-ray","1.3405","GaKα","","0.0814","0.0707","","","0.1856","0.192","","","","","","1.073","","","","has coordinates","296384","2024-12-06","16:36:38",""
"1572714","11.321","0.003","11.321","","9.154","0.003","90","","90","","90","","1173.2","0.5","293","2","293.15","","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H26 Ag2 N4 O13 -","- C16 H26 Ag2 N4 O13 -","- C32 H52 Ag4 N8 O26 -","2","0.125","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0299","0.0293","","","0.0811","0.0817","","","","","","1.149","","","","has coordinates,has disorder","296379","2024-12-06","16:33:59",""
"1572715","11.3504","0.0005","11.3504","0.0005","8.7443","0.0004","90","","90","","90","","1126.54","0.09","122","2","122","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C16 H24 Ag Cs N4 O12 -","- C16 H24 Ag Cs N4 O12 -","- C32 H48 Ag2 Cs2 N8 O24 -","2","0.125","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.023","0.0218","","","0.0511","0.0518","","","","","","1.133","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572716","8.2595","0.0005","9.1546","0.0006","9.1795","0.0006","64.956","0.002","67.171","0.002","87.677","0.002","573.17","0.07","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N4 Na2 O12 Pd -","- C16 H24 N4 Na2 O12 Pd -","- C16 H24 N4 Na2 O12 Pd -","1","0.5","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0184","0.018","","","0.0446","0.0448","","","","","","1.093","","","","has coordinates,has disorder","296379","2024-12-06","16:33:59",""
"1572717","9.7035","0.0006","13.0999","0.0008","13.5608","0.0009","68.125","0.002","73.051","0.002","76.873","0.002","1516.49","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Ag Cs N2 O8 -","- C8 H16 Ag Cs N2 O8 -","- C32 H64 Ag4 Cs4 N8 O32 -","4","2","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0346","0.0218","","","0.0419","0.0451","","","","","","1.026","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572718","11.3963","0.0009","11.3963","0.0009","8.5069","0.0006","90","","90","","90","","1104.84","0.15","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C32 H48 Ag2 N8 O24 Rb2 -","- C32 H48 Ag2 N8 O24 Rb2 -","- C32 H48 Ag2 N8 O24 Rb2 -","1","0.0625","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0305","0.0214","","","0.0438","0.0459","","","","","","1.125","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572719","11.554","0.004","11.554","","8.42","0.003","90","","90","","90","","1124","0.6","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","potassium tetrasuccinimidatoargentate(III)","","- C2 H3 Ag0.12 K0.12 N0.5 O1.5 -","- C2 H3 Ag0.125 K0.125 N0.5 O1.5 -","- C32 H48 Ag2 K2 N8 O24 -","16","1","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0143","0.0143","","","0.0398","0.0398","","","","","","1.209","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572730","12.2018","0.0002","16.4476","0.0002","16.9585","0.0003","68.442","0.001","69.632","0.002","79.14","0.001","2960.26","0.09","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H57 La2 Li N8 O38 P10 -","- C34 H51 La2 Li N8 O38 P10 -","- C68 H102 La4 Li2 N16 O76 P20 -","2","1","","Ma, Yu-Juan; Xu, Fei; Ren, Xin-Ye; Chen, Fan-Yao; Pan, Jie; Li, Jin-Hua; Han, Song-De; Wang, Guo-Ming","A photoinduced electron-transfer strategy for switchable fluorescence and phosphorescence in lanthanide-based coordination polymers.","Chemical science","2024","15","42","17642","17651","10.1039/d4sc04632c","","","0.71073","MoKα","","0.0356","0.0297","","","0.0757","0.0785","","","","","","1.053","","","","has coordinates","296390","2024-12-06","16:39:03",""
"1572731","12.1985","0.0002","16.4328","0.0003","16.9643","0.0004","68.463","0.002","69.625","0.002","79.152","0.002","2958.13","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H57 La2 Li N8 O38 P10 -","- C34 H51 La2 Li N8 O38 P10 -","- C68 H102 La4 Li2 N16 O76 P20 -","2","1","","Ma, Yu-Juan; Xu, Fei; Ren, Xin-Ye; Chen, Fan-Yao; Pan, Jie; Li, Jin-Hua; Han, Song-De; Wang, Guo-Ming","A photoinduced electron-transfer strategy for switchable fluorescence and phosphorescence in lanthanide-based coordination polymers.","Chemical science","2024","15","42","17642","17651","10.1039/d4sc04632c","","","0.71073","MoKα","","0.0387","0.0334","","","0.0838","0.0859","","","","","","1.118","","","","has coordinates","296390","2024-12-06","16:39:04",""
"1572732","15.9465","0.0004","14.8115","0.0004","22.4995","0.0007","90","","90","","90","","5314.2","0.3","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H32 B2 N2 -","- C31 H32 B2 N2 -","- C248 H256 B16 N16 -","8","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0534","0.0464","","","0.1264","0.1326","","","","","","1.045","","","","has coordinates","296383","2024-12-06","16:36:16",""
"1572733","23.3386","0.0007","22.7872","0.0006","12.1836","0.0004","90","","90","","90","","6479.5","0.3","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62 H64 B4 N4 Se -","- C62 H64 B4 N4 Se -","- C248 H256 B16 N16 Se4 -","4","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0409","0.0357","","","0.0948","0.0972","","","","","","1.048","","","","has coordinates","296383","2024-12-06","16:36:17",""
"1572734","15.6639","0.0006","16.1414","0.0007","23.311","0.001","90","","93.896","0.004","90","","5880.3","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H71 B4 N4 S -","- C65 H71 B4 N4 S -","- C260 H284 B16 N16 S4 -","4","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.103","0.0561","","","0.1238","0.1424","","","","","","1.018","","","","has coordinates","296383","2024-12-06","16:36:17",""
"1572735","14.4403","0.0004","25.7841","0.0009","32.0022","0.0011","90","","90","","90","","11915.4","0.7","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H64 B4 N4 Se4.85 -","- C62 H64 B4 N4 Se4.8501 -","- C496 H512 B32 N32 Se38.8008 -","8","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0941","0.0575","","","0.1209","0.1327","","","","","","1.071","","","","has coordinates,has disorder","296383","2024-12-06","16:36:17",""
"1572736","18.1411","0.0011","18.1411","0.0011","10.1359","0.0009","90","","90","","120","","2888.8","0.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C31 H35 Au Cl N4 -","- C31 H35 Au Cl N4 -","- C93 H105 Au3 Cl3 N12 -","3","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.168","0.0935","","","0.2049","0.2375","","","","","","1.038","","","","has coordinates","296393","2024-12-06","16:41:56",""
"1572737","9.2394","0.0004","13.0032","0.0007","13.1246","0.0007","82.772","0.003","84.032","0.003","85.266","0.003","1551.95","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Au Cl N5 O0 -","- C31 H35 Au Cl N5 -","- C62 H70 Au2 Cl2 N10 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71076","MoKα","","0.0826","0.0634","","","0.1574","0.1694","","","","","","1.136","","","","has coordinates","296393","2024-12-06","16:41:57",""
"1572738","19.51","0.008","10.172","0.004","28.549","0.011","90","","97.256","0.01","90","","5620","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 Au2 B2 Cl2 F10 N8 -","- C57 H60 Au2 B2 Cl2 F10 N8 -","- C228 H240 Au8 B8 Cl8 F40 N32 -","4","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.2442","0.1303","","","0.2571","0.314","","","","","","1.143","","","","has coordinates","296393","2024-12-06","16:41:58",""
"1572739","9.5527","0.0012","13.7464","0.0017","14.2095","0.0015","77.893","0.003","80.575","0.003","80.828","0.003","1784.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H36 Au B Cl2 F4 N4 -","- C37 H36 Au B Cl2 F4 N4 -","- C74 H72 Au2 B2 Cl4 F8 N8 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0878","0.0631","","","0.1186","0.1277","","","","","","1.066","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572740","10.008","0.0004","10.3247","0.0004","16.4908","0.0006","86.08","0.001","89.998","0.001","69.301","0.001","1589.73","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 Au B Cl3 F4 N4 -","- C31 H35 Au B Cl3 F4 N4 -","- C62 H70 Au2 B2 Cl6 F8 N8 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.052","0.0331","","","0.0689","0.0818","","","","","","1.172","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572741","9.3865","0.0019","17.981","0.004","20.354","0.005","90","","98.923","0.006","90","","3393.7","1.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Au2 B2 Cl6 F8 N10 O -","- C62 H68 Au2 B2 Cl6 F8 N10 O -","- C124 H136 Au4 B4 Cl12 F16 N20 O2 -","2","0.5","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.091","0.0715","","","0.1409","0.1488","","","","","","1.17","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572742","9.2528","0.0006","16.3004","0.001","18.1706","0.001","90.162","0.002","95.521","0.003","95.26","0.003","2716.2","0.3","307","2","307","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Au B F4 N4 -","- C28 H30 Au B F4 N4 -","- C112 H120 Au4 B4 F16 N16 -","4","2","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.1658","0.0741","","","0.1372","0.1698","","","","","","1.067","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572743","14.84","0.02","15.5","0.02","16.5","0.03","95.25","0.04","99.16","0.04","108.37","0.03","3515","9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H73 B6 F24 N13 -","- C62 H73 B6 F24 N13 -","- C124 H146 B12 F48 N26 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71076","MoKα","","0.1383","0.0668","","","0.1409","0.1654","","","","","","1.019","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572744","10.54","0.0013","13.2869","0.0019","13.5269","0.0018","87.44","0.004","88.406","0.004","74.202","0.004","1820.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H72 Au2 B2 Cl12 F8 N8 -","- C62 H72 Au2 B2 Cl12 F8 N8 -","- C62 H72 Au2 B2 Cl12 F8 N8 -","1","0.5","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0562","0.0417","","","0.0946","0.1025","","","","","","1.059","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572745","13.4261","0.0012","12.5589","0.0009","16.0123","0.0013","90","","90.397","0.003","90","","2699.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Au B F4 N4 O2 -","- C29 H30 Au B F4 N4 O2 -","- C116 H120 Au4 B4 F16 N16 O8 -","4","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0575","0.0303","","","0.0565","0.0646","","","","","","1.047","","","","has coordinates","296393","2024-12-06","16:41:58",""
"1572746","19.7358","0.0014","17.0365","0.0014","18.688","0.0014","90","","90","","90","","6283.4","0.8","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H35 Au B Cl2 F5 N4 -","- C31 H35 Au B Cl2 F5 N4 -","- C248 H280 Au8 B8 Cl16 F40 N32 -","8","2","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0941","0.0537","","","0.0939","0.1078","","","","","","1.085","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572747","10.2345","0.0004","12.0047","0.0004","13.9944","0.0006","112.256","0.001","111.385","0.002","90.484","0.001","1460.15","0.1","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H26 Br F3 N O3 P S -","- C30 H26 Br F3 N O3 P S -","- C60 H52 Br2 F6 N2 O6 P2 S2 -","2","1","","Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence","Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature.","Chemical science","2024","15","43","17962","17970","10.1039/d4sc05190d","","","0.71073","MoKα","","0.0513","0.0379","","","0.087","0.0961","","","","","","1.012","","","","has coordinates","296377","2024-12-06","16:32:26",""
"1572748","17.628","0.002","7.0992","0.001","13.6449","0.0016","90","","92.821","0.007","90","","1705.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N O2 S -","- C18 H18 F3 N O2 S -","- C72 H72 F12 N4 O8 S4 -","4","1","","Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence","Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature.","Chemical science","2024","15","43","17962","17970","10.1039/d4sc05190d","","","0.71073","MoKα","","0.0796","0.0443","","","0.1183","0.1459","","","","","","0.856","","","","has coordinates","296377","2024-12-06","16:32:27",""
"1572749","11.2161","0.0017","11.2502","0.0018","11.6904","0.0018","89.379","0.005","62.804","0.004","74.413","0.005","1253","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 N O3 P S -","- C29 H28 N O3 P S -","- C58 H56 N2 O6 P2 S2 -","2","1","","Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence","Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature.","Chemical science","2024","15","43","17962","17970","10.1039/d4sc05190d","","","1.54178","CuKα","","0.0423","0.0416","","","0.1345","0.1355","","","","","","1.021","","","","has coordinates","296377","2024-12-06","16:32:27",""
"1572750","10.9166","0.0009","11.0302","0.0009","11.9822","0.001","71.314","0.002","70.32","0.002","84.685","0.002","1286.73","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 N6 O8 Zn -","- C22 H26 Cl2 N6 O8 Zn -","- C44 H52 Cl4 N12 O16 Zn2 -","2","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.046","0.0329","","","0.0758","0.0824","","","","","","1.017","","","","has coordinates","296381","2024-12-06","16:35:04",""
"1572751","8.4126","0.0012","8.7175","0.0012","11.8242","0.0016","68.674","0.004","81.829","0.004","82.012","0.004","795.98","0.19","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","1","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0644","0.045","","","0.0976","0.1039","","","","","","1.045","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572752","9.7462","0.0006","11.2383","0.0007","14.4759","0.0009","84.92","0.002","84.334","0.002","76.057","0.002","1527.87","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 F6 N6 O6 S2 Zn -","- C24 H26 F6 N6 O6 S2 Zn -","- C48 H52 F12 N12 O12 S4 Zn2 -","2","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0533","0.0326","","","0.0684","0.0767","","","","","","1.019","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572753","7.9977","0.0005","24.6887","0.0016","13.6159","0.0009","90","","93.213","0.002","90","","2684.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl N9 O6 Zn -","- C22 H32 Cl N9 O6 Zn -","- C88 H128 Cl4 N36 O24 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0434","0.0336","","","0.082","0.0858","","","","","","1.031","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572754","11.9275","0.001","14.57","0.0012","20.8368","0.0017","90","","104.442","0.003","90","","3506.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Cl2 N6 O9 P Zn -","- C28 H41 Cl2 N6 O9 P Zn -","- C112 H164 Cl8 N24 O36 P4 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0863","0.0461","","","0.0971","0.1117","","","","","","1.026","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572755","32.352","0.006","11.149","0.002","23.519","0.007","90","","128.178","0.005","90","","6669","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H67 Cl3 N14 O13 Zn2 -","- C64 H67 Cl3 N14 O13 Zn2 -","- C256 H268 Cl12 N56 O52 Zn8 -","4","0.5","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1492","0.0605","","","0.1366","0.1799","","","","","","1.01","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572756","14.0967","0.0009","11.9311","0.0008","14.7941","0.0009","90","","90","","90","","2488.2","0.3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C22 H26 Cl N7 O6 Zn -","- C22 H26 Cl N7 O6 Zn -","- C88 H104 Cl4 N28 O24 Zn4 -","4","0.5","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0408","0.0304","","","0.0781","0.0846","","","","","","1.025","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572757","8.5047","0.0013","21.305","0.004","20.512","0.003","90","","92.188","0.005","90","","3713.9","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 Cl2 N8 O9 P Zn -","- C28 H47 Cl2 N8 O9 P Zn -","- C112 H188 Cl8 N32 O36 P4 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0786","0.0507","","","0.1221","0.1367","","","","","","1.032","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572758","9.554","0.003","12.332","0.003","16.893","0.004","109.731","0.007","90.608","0.008","91.289","0.008","1872.7","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 F6 N6 O6 S2 Zn -","- C32 H30 F6 N6 O6 S2 Zn -","- C64 H60 F12 N12 O12 S4 Zn2 -","2","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0755","0.0426","","","0.0995","0.1128","","","","","","1.017","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572759","19.739","0.003","8.1896","0.0012","23.969","0.004","90","","111.897","0.005","90","","3595.2","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl N7 O6 Zn -","- C30 H30 Cl N7 O6 Zn -","- C120 H120 Cl4 N28 O24 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1239","0.0637","","","0.1529","0.1755","","","","","","1.045","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572760","18.1198","0.0016","16.7592","0.0014","20.9767","0.0019","90","","90","","90","","6370.1","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H35 Cl2 N9 O8 Zn -","- C24 H35 Cl2 N9 O8 Zn -","- C192 H280 Cl16 N72 O64 Zn8 -","8","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1002","0.0695","","","0.1398","0.1539","","","","","","1.145","","","","has coordinates,has disorder","296381","2024-12-06","16:35:07",""
"1572761","13.982","0.003","12.019","0.002","23.87","0.005","90","","97.56","0.03","90","","3976.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H37 Cl N8 -","- C49 H36 N8 -","- C196 H144 N32 -","4","1","","Fracassa, Alessandro; Calogero, Francesco; Pavan, Giulio; Nikolaou, Pavlos; Fermi, Andrea; Ceroni, Paola; Paolucci, Francesco; Cozzi, Pier Giorgio; Scattolin, Thomas; Demitri, Nicola; Negri, Fabrizia; Gualandi, Andrea; Aliprandi, Alessandro; Valenti, Giovanni","Tunable electrochemiluminescence of TADF luminophores: manipulating efficiency and unveiling water-soluble emitters.","Chemical science","2024","15","43","17892","17899","10.1039/d4sc04986a","","","0.62","Synchrotron","","0.054","0.0497","","","0.1385","0.1428","","","","","","1.018","","","","has coordinates,has disorder","296380","2024-12-06","16:34:15",""
"1572762","7.9195","0.0006","11.7007","0.0011","14.6519","0.0015","90","","98.998","0.008","90","","1341","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H32.82 N6 O9 Sc -","- C27 H32.818 N6 O9 Sc -","- C54 H65.636 N12 O18 Sc2 -","2","1","","Kelderman, Cormac A. A.; Glaser, Owen M.; Whetter, Jennifer N.; Aluicio-Sarduy, Eduardo; Mixdorf, Jason C.; Sanders, Kyana M.; Guzei, Ilia A.; Barnhart, Todd E.; Engle, Jonathan W.; Boros, Eszter","Charting the coordinative landscape of the <sup>18</sup>F-Sc/<sup>44</sup>Sc/<sup>177</sup>Lu triad with the tri-aza-cyclononane (tacn) scaffold.","Chemical science","2024","15","43","17927","17936","10.1039/d4sc04735d","","x-ray","1.54178","CuKα","K-L~3~","0.0473","0.0441","","","0.1105","0.113","","","","","","1.063","","","","has coordinates,has disorder","296373","2024-12-06","16:31:05",""
"1572763","8.5963","0.0005","14.7551","0.0008","13.323","0.0007","90","","94.308","0.002","90","","1685.11","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 B2 Cl2 -","- C16 H24 B2 Cl2 -","- C64 H96 B8 Cl8 -","4","2","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0675","0.0545","","","0.1415","0.1558","","","","","","1.082","","","","has coordinates","296370","2024-12-06","16:30:14",""
"1572764","11.6102","0.0004","20.6129","0.0008","16.4977","0.0005","90","","95.399","0.001","90","","3930.7","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 B Cl N2 -","- C44 H70 B Cl N2 -","- C176 H280 B4 Cl4 N8 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0478","0.0371","","","0.1012","0.1047","","","","","","1.07","","","","has coordinates","296370","2024-12-06","16:30:14",""
"1572765","8.7428","0.0007","9.4037","0.0008","13.3258","0.0011","80.686","0.003","87.975","0.003","80.672","0.003","1066.79","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 B Br N -","- C23 H35 B Br N -","- C46 H70 B2 Br2 N2 -","2","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0283","0.0242","","","0.0646","0.066","","","","","","1.073","","","","has coordinates","296370","2024-12-06","16:30:14",""
"1572766","9.2417","0.0005","10.0889","0.0006","11.8541","0.0008","90","","110.192","0.003","90","","1037.33","0.11","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H36 B Cl N -","- C22 H36 B Cl N -","- C44 H72 B2 Cl2 N2 -","2","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0533","0.0482","","","0.1274","0.1303","","","","","","1.053","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572767","8.7528","0.0003","10.9747","0.0003","15.4186","0.0006","90","","91.674","0.002","90","","1480.47","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 B -","- C18 H23 B -","- C72 H92 B4 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0663","0.0611","","","0.1507","0.1565","","","","","","1.066","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572768","14.0779","0.0006","12.7663","0.0006","20.0966","0.001","90","","91.539","0.002","90","","3610.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 B Br Cl2 N -","- C36 H55 B Br Cl2 N -","- C144 H220 B4 Br4 Cl8 N4 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0669","0.0617","","","0.2129","0.2197","","","","","","1.072","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572769","10.81","0.011","12.282","0.008","23.47","0.03","90","","93.75","0.05","90","","3109","5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 B Br N -","- C35 H53 B Br N -","- C140 H212 B4 Br4 N4 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0345","0.0289","","","0.08","0.0822","","","","","","1.1","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572770","11.7206","0.0008","12.0045","0.0008","15.0853","0.001","108.946","0.003","93.723","0.002","95.092","0.003","1989.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 B Cl7 N2 -","- C36 H48 B Cl7 N2 -","- C72 H96 B2 Cl14 N4 -","2","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0462","0.04","","","0.0982","0.1031","","","","","","1.032","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572771","12.0999","0.001","13.3302","0.001","25.993","0.002","90","","90","","90","","4192.5","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 B Cl N -","- C23 H35 B Cl N -","- C184 H280 B8 Cl8 N8 -","8","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0355","0.0327","","","0.0897","0.0924","","","","","","1.058","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572772","12.1571","0.0005","13.5618","0.0007","25.839","0.0013","90","","90","","90","","4260.1","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 B Br N -","- C23 H35 B Br N -","- C184 H280 B8 Br8 N8 -","8","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0435","0.0421","","","0.1","0.1006","","","","","","1.093","","","","has coordinates,has disorder","296370","2024-12-06","16:30:15",""
"1572773","23.3813","0.0011","8.8522","0.0004","18.8122","0.0009","90","","111.915","0.005","90","","3612.3","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 N8 O16 Zn3 -","- C78 H72 N8 O16 Zn3 -","- C156 H144 N16 O32 Zn6 -","2","0.5","","Logelin, Madison E.; Schreiber, Eric; Mercado, Brandon Q.; Burke, Michael J.; Davis, Caitlin M.; Bartholomew, Amymarie K.","Exfoliation of a metal-organic framework enabled by post-synthetic cleavage of a dipyridyl dianthracene ligand.","Chemical science","2024","15","37","15198","15204","10.1039/d4sc03524k","","x-ray","1.54184","CuKα","","0.1297","0.0788","","","0.1936","0.223","","","","","","1.03","","","","has coordinates","295041","2024-10-04","09:43:26",""
"1572774","16.9","0.5","9.5","0.2","18.2","0.3","90","","94.7","0.3","90","","2912","12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H44 N4 O12 Zn3 -","- C66 H44 N4 O12 Zn3 -","- C132 H88 N8 O24 Zn6 -","2","0.5","","Logelin, Madison E.; Schreiber, Eric; Mercado, Brandon Q.; Burke, Michael J.; Davis, Caitlin M.; Bartholomew, Amymarie K.","Exfoliation of a metal-organic framework enabled by post-synthetic cleavage of a dipyridyl dianthracene ligand.","Chemical science","2024","15","37","15198","15204","10.1039/d4sc03524k","","electron","0.0251","electron","","0.2839","0.2263","","","0.5061","0.5386","","","","","","1.011","","","","has coordinates","295041","2024-10-04","09:43:28",""
"1572775","11.0839","0.0013","13.719","0.002","15.383","0.003","106.314","0.005","104.337","0.004","105.219","0.003","2031.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H37 B Cl3 F2 N9 O2 -","- C45 H37 B Cl3 F2 N9 O2 -","- C90 H74 B2 Cl6 F4 N18 O4 -","2","1","","Pim, Sebastian; Bourgès, Anaïs C; Wu, Dan; Durán-Sampedro, Gonzalo; Garre, Massimiliano; O'Shea, Donal F","Observing bioorthogonal macrocyclizations in the nuclear envelope of live cells using on/on fluorescence lifetime microscopy.","Chemical science","2024","15","36","14913","14923","10.1039/d4sc03489a","","x-ray","0.71073","MoKα","","0.056","0.0433","","","0.1079","0.115","","","","","","1.029","","","","has coordinates,has disorder","295042","2024-10-04","09:47:17",""
"1572776","9.9175","0.0014","17.323","0.003","10.7669","0.0015","90","","115.609","0.002","90","","1668.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br2 N O2 -","- C16 H13 Br2 N O2 -","- C64 H52 Br8 N4 O8 -","4","1","","Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications.","Chemical science","2024","15","36","14668","14676","10.1039/d4sc01513d","","","0.71073","MoKα","","0.0852","0.0442","","","0.1051","0.1234","","","","","","1.017","","","","has coordinates","295043","2024-10-04","09:48:21",""
"1572777","9.915","0.003","17.251","0.006","10.682","0.003","90","","115.375","0.005","90","","1650.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br Cl N O2 -","- C16 H13 Br Cl N O2 -","- C64 H52 Br4 Cl4 N4 O8 -","4","1","","Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications.","Chemical science","2024","15","36","14668","14676","10.1039/d4sc01513d","","","0.71073","MoKα","","0.0992","0.0476","","","0.1286","0.1519","","","","","","1.017","","","","has coordinates","295043","2024-10-04","09:48:24",""
"1572778","5.611","0.0006","7.1772","0.0008","25.602","0.003","90","","90","","90","","1031","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C40 H40 Br4 N4 O8 -","4","1","","Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications.","Chemical science","2024","15","36","14668","14676","10.1039/d4sc01513d","","","0.71073","MoKα","","0.0547","0.036","","","0.0807","0.0873","","","","","","1.013","","","","has coordinates","295043","2024-10-04","09:48:33",""
"1572779","10.8087","0.0008","11.2182","0.0008","11.3752","0.0008","61.101","0.002","89.292","0.003","66.734","0.002","1081.66","0.14","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 Cl2 N2 O P -","- C20 H29 Cl2 N2 O P -","- C40 H58 Cl4 N4 O2 P2 -","2","1","","Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami","Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.","Chemical science","2024","15","35","14406","14414","10.1039/d4sc03518f","","","0.71073","MoKα","","0.0673","0.0594","","","0.1698","0.1743","","","","","","1.115","","","","has coordinates","295044","2024-10-04","09:49:54",""
"1572780","18.3122","0.0008","5.9341","0.0002","22.4465","0.0011","90","","97.4662","0.0018","90","","2418.5","0.18","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 O P -","- C14 H15 O P -","- C112 H120 O8 P8 -","8","1","","Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami","Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.","Chemical science","2024","15","35","14406","14414","10.1039/d4sc03518f","","","0.71073","MoKα","","0.0463","0.0445","","","0.1009","0.1019","","","","","","1.133","","","","has coordinates,has disorder","295044","2024-10-04","09:49:56",""
"1572781","6.8013","0.0013","13.832","0.003","20.961","0.004","102.003","0.005","99.318","0.006","98.164","0.007","1871.6","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H45 O7 P -","- C45 H45 O7 P -","- C90 H90 O14 P2 -","2","1","","Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami","Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.","Chemical science","2024","15","35","14406","14414","10.1039/d4sc03518f","","","0.71073","MoKα","","0.19","0.097","","","0.2388","0.3356","","","","","","1.021","","","","has coordinates,has disorder","295044","2024-10-04","09:49:56",""
"1572782","29.1614","0.0016","29.1614","0.0016","29.1614","0.0016","90","","90","","90","","24798","2","173","","173","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C78 H111 N O12 P6 Pt3 -","- C78 H111 N O12 P6 Pt3 -","- C624 H888 N8 O96 P48 Pt24 -","8","0.333333","","Liu, Haifei; Guo, Chenxing; Huang, Yujuan; Zhou, Zilin; Jian, Shijin; Zhang, Zeyuan; Hou, Yali; Mu, Chaoqun; Zhang, Mingming","Fusion of two homoleptic truncated tetrahedra into a heteroleptic truncated octahedron.","Chemical science","2024","15","35","14352","14357","10.1039/d4sc02736a","","x-ray","1.34139","GaKα","","0.0476","0.0417","","","0.1154","0.1192","","","","","","1.064","","","","has coordinates,has disorder","295045","2024-10-04","09:51:51",""
"1572783","59.444","0.006","59.444","0.006","167.23","0.03","90","","90","","120","","511754","12","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C744 N28 O48 P48 Pt24 -","- C744 N28 O48 P48 Pt24 -","- C8928 N336 O576 P576 Pt288 -","12","0.666667","","Liu, Haifei; Guo, Chenxing; Huang, Yujuan; Zhou, Zilin; Jian, Shijin; Zhang, Zeyuan; Hou, Yali; Mu, Chaoqun; Zhang, Mingming","Fusion of two homoleptic truncated tetrahedra into a heteroleptic truncated octahedron.","Chemical science","2024","15","35","14352","14357","10.1039/d4sc02736a","","x-ray","1.54178","CuKα","","0.3397","0.157","","","0.3446","0.3856","","","","","","1.608","","","","has coordinates","295045","2024-10-04","09:51:52",""
"1572784","9.8076","0.0002","16.1235","0.0003","22.4399","0.0004","90","","90","","90","","3548.49","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 N6 O10 S -","- C30 H54 N6 O10 S -","- C120 H216 N24 O40 S4 -","4","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","x-ray","1.54184","CuKα","","0.0551","0.0522","","","0.1399","0.1419","","","","","","1.035","","","","has coordinates","295046","2024-10-04","09:52:47",""
"1572785","9.6433","0.0001","16.0251","0.0002","22.6439","0.0003","90","","90","","90","","3499.27","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H52 N6 O10 S -","- C29 H52 N6 O10 S -","- C116 H208 N24 O40 S4 -","4","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","x-ray","1.54184","CuKα","","0.0412","0.0394","","","0.1031","0.1043","","","","","","1.033","","","","has coordinates","295046","2024-10-04","09:52:48",""
"1572786","10.4739","0.0001","10.4739","0.0001","61.7275","0.0008","90","","90","","90","","6771.67","0.13","100.15","","100.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H46 N6 O6 S -","- C30 H46 N6 O6 S -","- C240 H368 N48 O48 S8 -","8","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","","1.54184","CuKα","","0.0529","0.0457","","","0.1073","0.1105","","","","","","1.042","","","","has coordinates,has disorder","295046","2024-10-04","09:52:48",""
"1572787","10.30099","0.00006","10.30099","0.00006","63.8033","0.0006","90","","90","","90","","6770.19","0.08","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H47 N5 O8 S -","- C30 H48 N6 O7 S -","- C240 H384 N48 O56 S8 -","8","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","","1.54184","CuKα","","0.0379","0.0367","","","0.0972","0.098","","","","","","1.067","","","","has coordinates","295046","2024-10-04","09:52:48",""
"1572788","8.5539","0.0005","15.9444","0.001","11.4097","0.0006","90","","90","","90","","1556.13","0.16","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C21 H17 Ti -","- C21 H17 Ti -","- C84 H68 Ti4 -","4","0.5","","Wisbeck, Sarita; Sorrentino, Andrea Luigi; Santana, Francielli S.; de Camargo, Luana C.; Ribeiro, Ronny R.; Salvadori, Enrico; Chiesa, Mario; Giaconi, Niccolò; Caneschi, Andrea; Mannini, Matteo; Poggini, Lorenzo; Briganti, Matteo; Serrano, Giulia; Soares, Jaísa F; Sessoli, Roberta","(η<sup>8</sup>-Cyclooctatetraene)(η<sup>5</sup>-fluorenyl)titanium: a processable molecular spin qubit with optimized control of the molecule-substrate interface.","Chemical science","2024","15","35","14390","14398","10.1039/d4sc03290j","","","0.71073","MoKα","","0.0511","0.039","","","0.0933","0.1008","","","","","","1.073","","","","has coordinates","295047","2024-10-04","09:53:44",""
"1572789","8.3693","0.0005","15.9237","0.0008","11.3545","0.0006","90","","90","","90","","1513.22","0.14","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C21 H17 Ti -","- C21 H17 Ti -","- C84 H68 Ti4 -","4","0.5","","Wisbeck, Sarita; Sorrentino, Andrea Luigi; Santana, Francielli S.; de Camargo, Luana C.; Ribeiro, Ronny R.; Salvadori, Enrico; Chiesa, Mario; Giaconi, Niccolò; Caneschi, Andrea; Mannini, Matteo; Poggini, Lorenzo; Briganti, Matteo; Serrano, Giulia; Soares, Jaísa F; Sessoli, Roberta","(η<sup>8</sup>-Cyclooctatetraene)(η<sup>5</sup>-fluorenyl)titanium: a processable molecular spin qubit with optimized control of the molecule-substrate interface.","Chemical science","2024","15","35","14390","14398","10.1039/d4sc03290j","","","0.71073","MoKα","","0.032","0.0294","","","0.0701","0.0713","","","","","","1.048","","","","has coordinates","295047","2024-10-04","09:53:46",""
"1572795","19.7252","0.001","19.7252","0.001","23.5747","0.0011","90","","90","","120","","7943.6","0.7","218","13","218","13","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C105 H63 Co6 N15 O25 -","- C105 H63 Co6 N15 O25 -","- C210 H126 Co12 N30 O50 -","2","0.166667","","Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo","Metal-organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade.","Chemical science","2024","15","42","17547","17555","10.1039/d4sc04387a","","x-ray","0.71073","MoKα","","0.0955","0.0787","","","0.2238","0.2389","","","","","","1.066","","","","has coordinates","296394","2024-12-06","16:42:51",""
"1572796","19.8699","0.0004","19.8699","0.0004","23.3404","0.0007","90","","90","","120","","7980.5","0.3","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C102 H60 Co6 N18 O25 -","- C102 H60 Co6 N18 O25 -","- C204 H120 Co12 N36 O50 -","2","0.166667","","Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo","Metal-organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade.","Chemical science","2024","15","42","17547","17555","10.1039/d4sc04387a","","","0.71073","MoKα","","0.1213","0.0673","","","0.1837","0.2125","","","","","","1.006","","","","has coordinates","296394","2024-12-06","16:42:53",""
"1572797","13.8977","0.0006","16.6183","0.0007","20.3259","0.0008","113.405","0.001","95.369","0.002","91.274","0.002","4280.2","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","DB-SF1","","- C86 H59 B2 N3 -","- C86 H59 B2 N3 -","- C172 H118 B4 N6 -","2","1","","Xu, Ke; Li, Nengquan; Ye, Zeyuan; Guo, Yuxi; Wu, Yuxin; Gui, Chenghao; Yin, Xiaojun; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo","High-performance deep-blue electroluminescence from multi-resonance TADF emitters with a spirofluorene-fused double boron framework.","Chemical science","2024","15","43","18076","18084","10.1039/d4sc04835k","","","1.34139","GaKα","","0.1026","0.0861","","","0.277","0.2896","","","","","","1.04","","","","has coordinates","296378","2024-12-06","16:33:31",""
"1572798","14.1931","0.0011","16.6449","0.0012","17.7614","0.0014","71.081","0.003","69.022","0.004","78.65","0.004","3690.7","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","DB-SF2","","- C86 H59 B2 N3 -","- C86 H59 B2 N3 -","- C172 H118 B4 N6 -","2","1","","Xu, Ke; Li, Nengquan; Ye, Zeyuan; Guo, Yuxi; Wu, Yuxin; Gui, Chenghao; Yin, Xiaojun; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo","High-performance deep-blue electroluminescence from multi-resonance TADF emitters with a spirofluorene-fused double boron framework.","Chemical science","2024","15","43","18076","18084","10.1039/d4sc04835k","","","1.34139","GaKα","","0.1824","0.1112","","","0.3059","0.3547","","","","","","1.067","","","","has coordinates","296378","2024-12-06","16:33:31",""
"1572799","21.64","0.004","16.954","0.003","6.7999","0.0012","90","","90","","90","","2494.8","0.8","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6.04 H31 B30.96 -","- C6.04 H31 B30.96 -","- C24.16 H124 B123.84 -","4","0.5","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0601","0.0504","","","0.14","0.1494","","","","","","1.104","","","","has coordinates,has disorder","296376","2024-12-06","16:32:04",""
"1572800","13.9904","0.0002","17.1121","0.0002","19.3321","0.0002","90","","109.802","0.001","90","","4354.53","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 B31 O P -","- C26 H46 B31 O P -","- C104 H184 B124 O4 P4 -","4","1","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0401","0.0381","","","0.1018","0.1032","","","","","","1.036","","","","has coordinates","296376","2024-12-06","16:32:06",""
"1572801","10.9967","0.0001","15.5241","0.0002","15.9285","0.0003","69.719","0.001","81.164","0.001","78.446","0.001","2488.44","0.06","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H72 B31 O P -","- C33 H72 B31 O P -","- C66 H144 B62 O2 P2 -","2","1","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","","1.54184","CuKα","","0.0722","0.0703","","","0.1808","0.1814","","","","","","1.0242","","","","has coordinates","296376","2024-12-06","16:32:06",""
"1572802","12.196","0.003","12.565","0.003","15.872","0.004","91.154","0.008","106.328","0.009","117.784","0.007","2032.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 B31 O P -","- C26 H46 B31 O P -","- C52 H92 B62 O2 P2 -","2","1","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0562","0.0498","","","0.1258","0.13","","","","","","1.075","","","","has coordinates","296376","2024-12-06","16:32:06",""
"1572819","8.5264","0.0003","12.9009","0.0003","13.416","0.0004","90","","90","","90","","1475.74","0.08","300","0.1","300","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C5 H13 Br5 Ga N -","- C5 H13 Br5 Ga N -","- C20 H52 Br20 Ga4 N4 -","4","0.5","","Tang, Zheng-Xiao; Wang, Bin; Li, Zhi-Rui; Huang, Zhuo; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","Enhancing the performance of molecule-based piezoelectric sensors by optimizing their microstructures.","Chemical science","2024","15","43","18060","18066","10.1039/d4sc05442c","","x-ray","1.54184","CuKα","","0.0491","0.0455","","","0.1144","0.1167","","","","","","1.092","","","","has coordinates,has disorder","296375","2024-12-06","16:31:25",""
"1572820","7.6159","0.0015","8.6763","0.0013","7.9574","0.0011","90","","90","","90","","525.81","0.15","296.32","0.1","296.32","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- N O6 Sb Te -","- N O6 Sb Te -","- N4 O24 Sb4 Te4 -","4","1","","Zhang, Bo; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","Fully tricoordinated assembly unveils a pioneering nonlinear optical crystal (SbTeO<sub>3</sub>)(NO<sub>3</sub>).","Chemical science","2024","15","44","18549","18556","10.1039/d4sc05640j","","x-ray","0.71073","MoKα","","0.0395","0.0336","","","0.0765","0.0797","","","","","","1.028","","","","has coordinates","296361","2024-12-06","16:23:06",""
"1572821","10.0967","0.0004","23.8308","0.001","24.3101","0.0011","90","","90","","90","","5849.3","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H27 B12 Br2 F3 N2 S -","- C18 H27 B12 Br2 F3 N2 S -","- C144 H216 B96 Br16 F24 N16 S8 -","8","1","","Zhong, Minling; Zhang, Jie; Xie, Zuowei","N[double bond, length as m-dash]N bond cleavage in diazirines by a cyclic diborane(4) compound.","Chemical science","2024","15","43","18048","18051","10.1039/d4sc04980b","","","0.71073","MoKα","","0.0854","0.0553","","","0.119","0.1332","","","","","","1.058","","","","has coordinates","296371","2024-12-06","16:30:44",""
"1572822","16.7138","0.0019","35.995","0.004","13.3816","0.0016","90","","118.474","0.003","90","","7076.7","1.4","245","2","245","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H32 B12 Br3 Cl3 F3 N2 P S -","- C16 H31 B12 Br3 Cl2 F3 N2 P S -","- C128 H248 B96 Br24 Cl16 F24 N16 P8 S8 -","8","1","","Zhong, Minling; Zhang, Jie; Xie, Zuowei","N[double bond, length as m-dash]N bond cleavage in diazirines by a cyclic diborane(4) compound.","Chemical science","2024","15","43","18048","18051","10.1039/d4sc04980b","","","0.71073","MoKα","","0.1698","0.084","","","0.2148","0.2568","","","","","","1.044","","","","has coordinates","296371","2024-12-06","16:30:44",""
"1572823","10.3152","0.0019","12.2542","0.0016","20.6868","0.0014","79.983","0.007","82.962","0.01","71.165","0.015","2431","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H50 N4 O -","- C58 H50 N4 O -","- C116 H100 N8 O2 -","2","1","","Zhou, Huayi; Wang, Runze; Sun, Mizhen; Zhou, Yannan; Zhang, Li; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Highly efficient pure organic near-ultraviolet (NUV) electro-fluorescent materials with high electron mobility and improved hole mobility.","Chemical science","2024","15","44","18601","18607","10.1039/d4sc05625f","","","0.71073","MoKα","","0.2219","0.117","","","0.2692","0.3146","","","","","","1.062","","","","has coordinates","296351","2024-12-06","16:19:35",""
"1572824","10.419","0.004","10.639","0.004","23.685","0.009","93.232","0.008","102.281","0.008","112.408","0.007","2344","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H47 Cl3 N4 -","- C58 H47 Cl3 N4 -","- C116 H94 Cl6 N8 -","2","1","","Zhou, Huayi; Wang, Runze; Sun, Mizhen; Zhou, Yannan; Zhang, Li; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Highly efficient pure organic near-ultraviolet (NUV) electro-fluorescent materials with high electron mobility and improved hole mobility.","Chemical science","2024","15","44","18601","18607","10.1039/d4sc05625f","","","0.71073","MoKα","","0.2081","0.1255","","","0.3279","0.3596","","","","","","1.058","","","","has coordinates","296351","2024-12-06","16:19:35",""
"1572825","32.1662","0.0007","24.9817","0.0004","13.4105","0.0005","90","","90","","90","","10776.2","0.5","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","TC-MOF","","- C65 H49 Er3 N2 O21 -","- C65 H49 Er3 N1.5 O21 -","- C260 H196 Er12 N6 O84 -","4","0.5","","Xia, Qingchun; Han, Kaixin; Ma, Xuxiao; Qiu, Pengtao; Li, Zhiyong; Chen, Xuenian","A tetraphenylborate-based anionic metal-organic framework as a versatile solid electrolyte for fast Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Mg<sup>2+</sup>, Ca<sup>2+</sup>, and Zn<sup>2+</sup> transportation.","Chemical science","2024","15","42","17579","17589","10.1039/d4sc02861a","","x-ray","1.54184","CuKα","","0.066","0.0502","","","0.1287","0.1449","","","","","","1.032","","","","has coordinates,has disorder","296387","2024-12-06","16:38:00",""
"1572826","32.6786","0.0005","24.8964","0.0004","13.9814","0.0003","90","","90","","90","","11375","0.4","170","0.1","170","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31.5 H23.5 B Er1.5 N O10.5 -","- C31.5 H23.5 B Er1.5 N O10.5 -","- C252 H188 B8 Er12 N8 O84 -","8","1","","Xia, Qingchun; Han, Kaixin; Ma, Xuxiao; Qiu, Pengtao; Li, Zhiyong; Chen, Xuenian","A tetraphenylborate-based anionic metal-organic framework as a versatile solid electrolyte for fast Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Mg<sup>2+</sup>, Ca<sup>2+</sup>, and Zn<sup>2+</sup> transportation.","Chemical science","2024","15","42","17579","17589","10.1039/d4sc02861a","","x-ray","1.54184","CuKα","","0.0687","0.0537","","","0.1479","0.1537","","","","","","1.141","","","","has coordinates,has disorder","296387","2024-12-06","16:38:00",""
"1572827","14.3934","0.0003","15.1871","0.0003","24.943","0.0005","89.932","0.002","99.74","0.002","115.133","0.002","4849.75","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","Hf6-phenylphosphinate","","- C73.45 H78.9 Cl2.9 Hf6 O32 P12 -","- C72.2 H76.4 Cl0.4 Hf6 O32 P12 -","- C144.4 H152.8 Cl0.8 Hf12 O64 P24 -","2","1","","Unniram Parambil, Ajmal Roshan; Pokratath, Rohan; Parammal, Muhammed Jibin; Dhaene, Evert; Van den Eynden, Dietger; Balog, Sandor; Prescimone, Alessandro; Infante, Ivan; Shahgaldian, Patrick; De Roo, Jonathan","Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands.","Chemical science","2024","15","42","17380","17396","10.1039/d4sc03859b","","x-ray","1.34143","GaKα","","0.0984","0.0899","","","0.2276","0.2348","","","","","","1.046","","","","has coordinates","296392","2024-12-06","16:40:42",""
"1572828","14.4003","0.0003","15.2252","0.0004","24.9863","0.0006","89.897","0.002","80.487","0.002","64.685","0.002","4869.4","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","Zr6-phenylphosphinate","","- C73 H78 Cl2 O32 P12 Zr6 -","- C72.7 H77.4 Cl1.4 O32 P12 Zr6 -","- C145.4 H154.8 Cl2.8 O64 P24 Zr12 -","2","1","","Unniram Parambil, Ajmal Roshan; Pokratath, Rohan; Parammal, Muhammed Jibin; Dhaene, Evert; Van den Eynden, Dietger; Balog, Sandor; Prescimone, Alessandro; Infante, Ivan; Shahgaldian, Patrick; De Roo, Jonathan","Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands.","Chemical science","2024","15","42","17380","17396","10.1039/d4sc03859b","","x-ray","1.34143","GaKα","","0.0972","0.0871","","","0.2444","0.257","","","","","","1.048","","","","has coordinates,has disorder","296392","2024-12-06","16:40:47",""
"1572829","32.4731","0.0004","32.4731","0.0004","96.4532","0.0011","90","","90","","120","","88083.5","1.8","150","0.1","150","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C432 H192 Ag98 Cl4 F144 -","- C432 H192 Ag98 Cl4 F144 -","- C2592 H1152 Ag588 Cl24 F864 -","6","0.333333","","Cui, Xiaoqin; Zhang, Xuehuan; Li, Ting; Zhu, Sheng; Han, Gaoyi; Li, Huan","Substituent effect in determining the total structure of an all-alkynyl-protected Ag<sub>98</sub> nanocluster for methanol tolerant oxygen reduction reaction.","Chemical science","2024","15","43","18161","18169","10.1039/d4sc04318a","","x-ray","1.54184","CuKα","","0.117","0.0778","","","0.2263","0.2582","","","","","","0.946","","","","has coordinates,has disorder","296382","2024-12-06","16:35:45",""
"1572830","8.3637","0.0003","14.3587","0.0006","21.379","0.0008","90","","90","","90","","2567.44","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 B N -","- C30 H34 B N -","- C120 H136 B4 N4 -","4","1","","Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli","Regioisomers containing triarylboron-based motifs as multi-functional photoluminescent materials: from dual-mode delayed emission to pH-switchable room-temperature phosphorescence.","Chemical science","2024","15","44","18364","18378","10.1039/d4sc05656f","","","0.71073","MoKα","","0.1003","0.0584","","","0.1648","0.1918","","","","","","1.013","","","","has coordinates","296355","2024-12-06","16:21:39",""
"1572831","7.9503","0.0004","8.3312","0.0004","19.4228","0.0009","78.527","0.004","89.087","0.004","87.192","0.004","1259.23","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 B N -","- C30 H34 B N -","- C60 H68 B2 N2 -","2","1","","Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli","Regioisomers containing triarylboron-based motifs as multi-functional photoluminescent materials: from dual-mode delayed emission to pH-switchable room-temperature phosphorescence.","Chemical science","2024","15","44","18364","18378","10.1039/d4sc05656f","","","0.71073","MoKα","","0.0716","0.0585","","","0.1667","0.1787","","","","","","1.048","","","","has coordinates","296355","2024-12-06","16:21:39",""
"1572832","17.9022","0.0007","8.3999","0.0003","47.941","0.0016","90","","94.795","0.003","90","","7184","0.5","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C34 H41 B Cl4 F3 N O3 S -","- C34 H41 B Cl4 F3 N O3 S -","- C272 H328 B8 Cl32 F24 N8 O24 S8 -","8","1","","Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli","Regioisomers containing triarylboron-based motifs as multi-functional photoluminescent materials: from dual-mode delayed emission to pH-switchable room-temperature phosphorescence.","Chemical science","2024","15","44","18364","18378","10.1039/d4sc05656f","","","0.71073","MoKα","","0.0976","0.0764","","","0.2016","0.2146","","","","","","1.026","","","","has coordinates,has disorder","296355","2024-12-06","16:21:39",""
"1572833","8.241","0.0003","15.6585","0.0007","9.0543","0.0004","90","","92.064","0.001","90","","1167.62","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(tert-butyl)-4λ4-azaspiro[2.5]octane hydrochloride","","- C11 H22 Cl N -","- C11 H22 Cl N -","- C44 H88 Cl4 N4 -","4","1","","Izzotti, Anthony R.; Gleason, James L.","Driving <i>tert</i>-butyl axial: the surprising cyclopropyl effect.","Chemical science","2024","15","44","18592","18600","10.1039/d4sc05470a","","","1.54178","CuKα","","0.0478","0.0461","","","0.1321","0.1348","","","","","","1.094","","","","has coordinates","296349","2024-12-06","16:18:41",""
"1572834","16.197","0.0005","5.705","0.0002","20.808","0.0006","90","","110.374","0.001","90","","1802.45","0.1","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,9-dibenzyl-4,9-diazadispiro[2.2.26.23]decane","","- C22 H26 N2 -","- C22 H26 N2 -","- C88 H104 N8 -","4","0.5","","Izzotti, Anthony R.; Gleason, James L.","Driving <i>tert</i>-butyl axial: the surprising cyclopropyl effect.","Chemical science","2024","15","44","18592","18600","10.1039/d4sc05470a","","","1.54178","CuKα","","0.0523","0.0438","","","0.107","0.1165","","","","","","1.037","","","","has coordinates","296349","2024-12-06","16:18:41",""
"1572835","14.12","0.003","9.381","0.002","14.431","0.003","90","","118.58","0.014","90","","1678.6","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4,7-dibenzyl-4,7-diazaspiro[2.5]octane-4,7-diium di-4-methylbenzenesulfonate hydrate","","- C34 H42 N2 O7 S2 -","- C34 H42 N2 O7 S2 -","- C68 H84 N4 O14 S4 -","2","1","","Izzotti, Anthony R.; Gleason, James L.","Driving <i>tert</i>-butyl axial: the surprising cyclopropyl effect.","Chemical science","2024","15","44","18592","18600","10.1039/d4sc05470a","","","1.54178","CuKα","","0.0758","0.0502","","","0.1277","0.1453","","","","","","1.038","","","","has coordinates,has disorder","296349","2024-12-06","16:18:41",""
"1572836","9.0954","0.0014","28.981","0.004","20.898","0.003","90","","90","","90","","5508.6","1.4","296","2","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C46 H58 N2 O10 S2 -","- C46 H58 N2 O10 S2 -","- C184 H232 N8 O40 S8 -","4","0.5","","Liu, Huifeng; He, Yongrui; Chen, Jia; Qu, Xiaoqing; He, Jing; Chen, Xuwei; Wang, Jianhua; Qiu, Hongdeng","Chiral ionic organic single-crystal and its exfoliated two-dimensional nanosheets with enhanced enantioseparation.","Chemical science","2024","15","45","18818","18824","10.1039/d4sc04990j","","","0.71073","MoKα","","0.0929","0.0517","","","0.1295","0.1414","","","","","","0.999","","","","has coordinates","296435","2024-12-06","17:00:24",""
"1572837","14.9819","0.0006","14.988","0.0004","19.2809","0.0006","75.285","0.003","68.908","0.003","83.041","0.003","3904.8","0.2","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H41 O3 P2 Re -","- C47.5 H41 O3 P2 Re -","- C190 H164 O12 P8 Re4 -","4","2","","Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Exploring efficient and air-stable d<sup>2</sup> Re(v) alkylidyne catalysts: toward room temperature alkyne metathesis.","Chemical science","2024","15","44","18318","18326","10.1039/d4sc05369a","","","1.54184","CuKα","","0.0451","0.0355","","","0.0854","0.093","","","","","","1.049","","","","has coordinates,has disorder","296354","2024-12-06","16:21:24",""
"1572838","17.138","0.0003","18.3645","0.0004","21.067","0.0005","107.093","0.002","92.87","0.002","113.868","0.002","5686.2","0.3","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C105.5 H55.5 Cl6.5 F48 O4 P4 Re2 Zn -","- C105.5 H55.5 Cl6.5 F48 O4 P4 Re2 Zn -","- C211 H111 Cl13 F96 O8 P8 Re4 Zn2 -","2","1","","Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Exploring efficient and air-stable d<sup>2</sup> Re(v) alkylidyne catalysts: toward room temperature alkyne metathesis.","Chemical science","2024","15","44","18318","18326","10.1039/d4sc05369a","","x-ray","1.54184","CuKα","","0.0632","0.0537","","","0.145","0.1564","","","","","","1.035","","","","has coordinates,has disorder","296354","2024-12-06","16:21:24",""
"1572839","11.0053","0.0005","11.439","0.0004","17.8263","0.0006","85.487","0.003","78.475","0.003","62.411","0.004","1948.62","0.15","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H41 O2 P2 Re S -","- C46 H41 O2 P2 Re S -","- C92 H82 O4 P4 Re2 S2 -","2","1","","Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Exploring efficient and air-stable d<sup>2</sup> Re(v) alkylidyne catalysts: toward room temperature alkyne metathesis.","Chemical science","2024","15","44","18318","18326","10.1039/d4sc05369a","","x-ray","1.54184","CuKα","","0.0166","0.0159","","","0.0393","0.0397","","","","","","1.05","","","","has coordinates","296354","2024-12-06","16:21:24",""
"1572840","8.281","0.004","10.126","0.005","19.388","0.008","86.625","0.009","85.739","0.01","72.015","0.011","1540.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H48 N4 Si -","- C31 H48 N4 Si -","- C62 H96 N8 Si2 -","2","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0842","0.0713","","","0.1624","0.1726","","","","","","1.121","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572841","19.9625","0.0012","6.8258","0.0004","19.8501","0.0012","90","","105.828","0.002","90","","2602.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 N4 -","- C28 H38 N4 -","- C112 H152 N16 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.164","0.0746","","","0.1487","0.1903","","","","","","1.021","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572842","12.151","0.0004","11.9324","0.0005","18.7244","0.0008","90","","90","","90","","2714.86","0.19","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N5 -","- C13 H21 N5 -","- C104 H168 N40 -","8","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0627","0.0474","","","0.1138","0.1207","","","","","","1.056","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572843","10.5986","0.0012","14.3442","0.0017","21.841","0.003","90","","100.144","0.003","90","","3268.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 N4 O2 -","- C34 H50 N4 O2 -","- C136 H200 N16 O8 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0991","0.0715","","","0.1383","0.1499","","","","","","1.106","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572844","12.2095","0.0015","16.906","0.002","17.394","0.002","102.647","0.004","102.612","0.004","109.02","0.004","3144.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H50 N4 Si -","- C32 H50 N4 Si -","- C128 H200 N16 Si4 -","4","2","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0872","0.0752","","","0.2307","0.2392","","","","","","1.06","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572845","13.505","0.003","12.601","0.002","17.615","0.003","90","","110.277","0.006","90","","2811.9","0.9","224","2","224","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 N6 O4 -","- C23 H40 N6 O4 -","- C92 H160 N24 O16 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0895","0.0683","","","0.1766","0.1929","","","","","","1.031","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572846","9.8892","0.0006","15.8752","0.0011","21.8134","0.0013","90","","95.043","0.002","90","","3411.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 N4 O2 Si -","- C34 H50 N4 O2 Si -","- C136 H200 N16 O8 Si4 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1194","0.0633","","","0.1185","0.1397","","","","","","1.025","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572847","9.461","0.003","11.622","0.004","12.759","0.004","82.729","0.009","82.161","0.009","89.987","0.009","1378.4","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39.5 Cl N4 O0.25 -","- C28 H39 Cl N4 O0.25 -","- C56 H78 Cl2 N8 O0.5 -","2","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1284","0.0563","","","0.1145","0.132","","","","","","0.843","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572848","11.1953","0.0007","13.1685","0.0009","21.739","0.0015","90","","99.457","0.002","90","","3161.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 N4 O2 -","- C33 H48 N4 O2 -","- C132 H192 N16 O8 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","","","0.0881","0.0577","","","0.1122","0.124","","","","","","1.073","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572849","11.4307","0.0012","11.4548","0.0013","28.925","0.003","90","","90","","90","","3787.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H30 N4 O2 -","- C17 H30 N4 O2 -","- C136 H240 N32 O16 -","8","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.104","0.0608","","","0.1184","0.1396","","","","","","1.103","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572850","11.0142","0.0005","10.0702","0.0004","12.5419","0.0006","90","","110.769","0.002","90","","1300.69","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N4 -","- C12 H22 N4 -","- C48 H88 N16 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0412","0.0378","","","0.1066","0.1104","","","","","","1.093","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572851","12.6958","0.001","17.2563","0.0011","18.327","0.0013","90","","107.659","0.002","90","","3825.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N4 O2 -","- C40 H54 N4 O2 -","- C160 H216 N16 O8 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1226","0.0705","","","0.1334","0.1556","","","","","","1.038","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572852","10.2595","0.0008","19.2221","0.0014","16.2971","0.0013","90","","107.065","0.003","90","","3072.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 N4 Si -","- C31 H46 N4 Si -","- C124 H184 N16 Si4 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0839","0.0517","","","0.1161","0.1385","","","","","","1.039","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572853","10.1752","0.0012","18.596","0.003","19.949","0.003","105.886","0.004","94.06","0.005","91.388","0.004","3617.7","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H30 N4 Si -","- C15 H30 N4 Si -","- C120 H240 N32 Si8 -","8","4","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1098","0.1004","","","0.2341","0.2381","","","","","","1.223","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572858","6.3366","0.0003","16.1613","0.0007","10.1821","0.0004","90","","93.579","0.004","90","","1040.69","0.08","152.98","0.1","152.98","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 I6 N2 O Pb2 -","- C4 H14 I6 N2 O Pb2 -","- C8 H28 I12 N4 O2 Pb4 -","2","0.5","","Wang, Wei; Liu, Cheng-Dong; Fan, Chang-Chun; Zhang, Wen","A three-dimensional lead iodide perovskite analog featuring hydrogen-bonded dual monovalent cations.","Chemical science","2024","15","44","18455","18462","10.1039/d4sc05585c","","x-ray","0.71073","MoKα","","0.0381","0.0347","","","0.0987","0.1003","","","","","","0.987","","","","has coordinates","296359","2024-12-06","16:22:46",""
"1572859","5.2898","0.0002","7.8669","0.0003","17.559","0.0006","99.161","0.003","96.187","0.003","90.692","0.003","716.87","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C32 H32 Cl2 N6 O2 -","2","1","","Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun","Dynamic organic crystals as exceptionally efficient artificial natural light-harvesting actuators.","Chemical science","2024","15","44","18617","18626","10.1039/d4sc05684a","","x-ray","1.54184","CuKα","","0.0376","0.0359","","","0.1041","0.1059","","","","","","1.079","","","","has coordinates","296353","2024-12-06","16:21:04",""
"1572860","14.9184","0.0005","12.9302","0.0004","7.6631","0.0003","90","","96.635","0.003","90","","1468.3","0.09","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun","Dynamic organic crystals as exceptionally efficient artificial natural light-harvesting actuators.","Chemical science","2024","15","44","18617","18626","10.1039/d4sc05684a","","x-ray","0.71073","MoKα","","0.0883","0.0643","","","0.128","0.1391","","","","","","1.079","","","","has coordinates","296353","2024-12-06","16:21:05",""
"1572861","21.398","0.003","21.398","0.003","53.967","0.014","90","","90","","90","","24710","8","80","2","80","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- C156 H188 -","- C156 H188 -","- C1248 H1504 -","8","0.25","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","0.71073","MoKα","","0.1883","0.1132","","","0.2734","0.2976","","","","","","1.614","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"1572862","16.846","0.002","22.876","0.006","25.515","0.004","69.3","0.02","84.33","0.02","76.83","0.02","8954","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C242 H212 N4 O8 -","- C242 H212 N4 O8 -","- C484 H424 N8 O16 -","2","1","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","1.54184","CuKα","","0.1709","0.1195","","","0.329","0.3687","","","","","","1.246","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"1572863","37.776","0.009","37.776","0.009","37.012","0.0012","90","","90","","120","","45741","15","100","2","100","2","","","","","","","","2","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C470.4 H161.6 -","- C470.4 H161.6 -","- C2822.4 H969.6 -","6","0.5","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","1.54184","CuKα","","0.1921","0.168","","","0.4278","0.4423","","","","","","3.352","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"1572864","8.233","0.005","8.661","0.005","25.432","0.016","90","","96.086","0.008","90","","1803.2","1.9","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N2 O4 Sn2 -","- C44 H32 N2 O4 Sn2 -","- C88 H64 N4 O8 Sn4 -","2","0.5","","Tanimura, Kazuya; Tanaka, Kento; Gon, Masayuki; Tanaka, Kazuo","Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared emission consisting of Schiff bases based on π-conjugated scaffolds.","Chemical science","2024","15","43","17950","17961","10.1039/d4sc05006a","","","0.71075","MoKα","","0.1589","0.1216","","","0.1581","0.1729","","","","","","1.3","","","","has coordinates,has disorder","296374","2024-12-06","16:31:15",""
"1572865","9.383","0.008","12.3335","0.001","16.264","0.014","80.34","0.02","84.76","0.03","82.51","0.03","1835","2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 N2 O4 Sn2 -","- C44 H32 N2 O4 Sn2 -","- C88 H64 N4 O8 Sn4 -","2","1","","Tanimura, Kazuya; Tanaka, Kento; Gon, Masayuki; Tanaka, Kazuo","Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared emission consisting of Schiff bases based on π-conjugated scaffolds.","Chemical science","2024","15","43","17950","17961","10.1039/d4sc05006a","","","0.71075","MoKα","","0.1365","0.0887","","","0.1647","0.1981","","","","","","1.083","","","","has coordinates,has disorder","296374","2024-12-06","16:31:17",""
"1572866","13.3341","0.0007","15.4736","0.0009","16.8028","0.0009","89.148","0.004","68.098","0.004","69.912","0.004","2995.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C118 H180 Fe2 N4 O8 P4 Si4 -","- C118 H180 Fe2 N4 O8 P4 Si4 -","- C118 H180 Fe2 N4 O8 P4 Si4 -","1","0.5","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.0736","0.0585","","","0.1728","0.2052","","","","","","1.015","","","","has coordinates,has disorder","296439","2024-12-06","17:02:16",""
"1572867","18.994","0.002","11.672","0.002","19.431","0.003","90","","118.39","0.02","90","","3789.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 N2 P Si2 -","- C36 H61 N2 P Si2 -","- C144 H244 N8 P4 Si8 -","4","1","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.089","0.0514","","","0.1088","0.1232","","","","","","1.05","","","","has coordinates,has disorder","296439","2024-12-06","17:02:19",""
"1572868","14.748","0.002","18.855","0.002","31.225","0.004","90","","90","","90","","8682.8","1.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 Mo N2 O5 P2 Si2 -","- C90 H120 Mo N2 O5 P2 Si2 -","- C360 H480 Mo4 N8 O20 P8 Si8 -","4","1","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.0703","0.0436","","","0.0886","0.0994","","","","","","1.043","","","","has coordinates,has disorder","296439","2024-12-06","17:02:19",""
"1572869","14.772","0.002","18.812","0.002","31.181","0.004","90","","90","","90","","8664.9","1.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 N2 O5 P2 Si2 W -","- C90 H120 N2 O5 P2 Si2 W -","- C360 H480 N8 O20 P8 Si8 W4 -","4","1","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.0217","0.0207","","","0.05","0.0504","","","","","","1.078","","","","has coordinates,has disorder","296439","2024-12-06","17:02:19",""
"1572870","13.6097","0.0008","13.9046","0.0008","18.5959","0.0011","68.205","0.002","70.537","0.002","81.543","0.002","3079.7","0.3","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H61 Co N6 O25 S2 Tb -","- C54 H61 Co N6 O25 S2 Tb -","- C108 H122 Co2 N12 O50 S4 Tb2 -","2","1","","Gupta, Ruchika; Aashish, ?; Upma, ?; Majumdar, Shubhangi; Chowdhury, Pramit K.; Gupta, Rajeev","Visible light mediated photocatalysis by lanthanide metal-organic frameworks: enhanced specificity and mechanistic insights.","Chemical science","2024","15","45","18952","18968","10.1039/d4sc04105d","","","0.71073","MoKα","","0.0822","0.065","","","0.1682","0.1871","","","","","","1.102","","","","has coordinates,has disorder","296432","2024-12-06","16:59:35",""
"1572871","12.7608","0.001","16.8135","0.0014","17.8856","0.0014","64.977","0.003","78.609","0.003","87.398","0.003","3405.6","0.5","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 Co Eu N6 O17 S -","- C51 H40 Co Eu N6 O17 S -","- C102 H80 Co2 Eu2 N12 O34 S2 -","2","1","","Gupta, Ruchika; Aashish, ?; Upma, ?; Majumdar, Shubhangi; Chowdhury, Pramit K.; Gupta, Rajeev","Visible light mediated photocatalysis by lanthanide metal-organic frameworks: enhanced specificity and mechanistic insights.","Chemical science","2024","15","45","18952","18968","10.1039/d4sc04105d","","","0.71073","MoKα","","0.0943","0.0652","","","0.175","0.1933","","","","","","1.042","","","","has coordinates","296432","2024-12-06","16:59:35",""
"1572872","25.58","0.03","37.13","0.03","38.88","0.04","90","","105.151","0.012","90","","35644","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C168 H92 B3.5 F14 N12 Pd2 -","- C168 H92 B3.5 F14 N12 Pd2 -","- C1344 H736 B28 F112 N96 Pd16 -","8","2","","Drechsler, Christoph; Baksi, Ananya; Platzek, André; Acar, Mert; Holstein, Julian J.; Stein, Christopher J.; Clever, Guido H.","London dispersion driven compaction of coordination cages in the gas-phase - a combined ion mobility and theoretical study.","Chemical science","2024","15","46","19264","19272","10.1039/d4sc04786a","","","0.88561","synchrotron","","0.1964","0.152","","","0.4177","0.4491","","","","","","1.678","","","","has coordinates","296416","2024-12-06","16:51:47",""
"1572873","13.2149","0.0003","5.5084","0.0001","13.7281","0.0004","90","","96.519","0.001","90","","992.85","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 O -","- C26 H28 O -","- C52 H56 O2 -","2","1","","Xin, Shuang; Liao, Jibang; Tang, Qi; Feng, Xiaoming; Liu, Xiaohua","Photoinduced copper-catalyzed asymmetric cyanoalkylalkynylation of alkenes, terminal alkynes, and oximes.","Chemical science","2024","15","44","18557","18563","10.1039/d4sc05642f","","","1.54178","CuKα","","0.0326","0.0304","","","0.0782","0.0793","","","","","","1.066","","","","has coordinates","296360","2024-12-06","16:22:54",""
"1572874","5.57076","0.00008","7.79768","0.00012","42.0452","0.0006","90","","90","","90","","1826.4","0.05","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Huang, Shisheng; Luo, Jilong; Chen, Ping; Chen, Jiean; Wang, Zhaofeng","Three-component modular synthesis of chiral 1,3-dioxoles <i>via</i> a Rh-catalyzed carbenic olefination cascade.","Chemical science","2024","15","44","18564","18571","10.1039/d4sc06166g","","","1.54184","CuKα","","0.0334","0.0317","","","0.0792","0.0803","","","","","","1.066","","","","has coordinates","296348","2024-12-06","16:18:28",""
"1572881","17.0841","0.0008","20.5511","0.001","26.5333","0.0012","73.391","0.002","72.258","0.002","65.634","0.002","7943.6","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C147.36 H170.13 Au25 N O S18 -","- C147.362 H170.128 Au25 N O S18 -","- C294.724 H340.256 Au50 N2 O2 S36 -","2","1","","Suzuki, Wataru; Takahata, Ryo; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Xue, Songlin; Teranishi, Toshiharu","Quantitative analysis of air-oxidation reactions of thiolate-protected gold nanoclusters.","Chemical science","2024","15","45","18896","18902","10.1039/d4sc02995j","","","0.71073","MoKα","","0.0444","0.0306","","","0.0648","0.0703","","","","","","1.033","","","","has coordinates,has disorder","296433","2024-12-06","16:59:54",""
"1572882","22.0664","0.0002","18.6023","0.0002","7.6331","0.0001","90","","98.659","0.001","90","","3097.57","0.06","273","0.1","273","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,10-diphenyl-2,3,7,8-tetra(thiophen-2-yl)pyrazino[2,3-g]quinoxaline","","- C38 H22 N4 S4 -","- C38 H22 N4 S4 -","- C152 H88 N16 S16 -","4","0.5","","Bezboruah, Jasmine; Khator, Kanha Ram; Gayen, Sayantan; Sanke, Devendra Mayurdhwaj; Mahapatra, Biplab; Sahoo, Anshuman; Nayak, Amlandeep; Reddy, C. Malla; Senanayak, Satyaprasad P.; Zade, Sanjio S.","Pyrazinoquinoxaline derivatives for flexible electronic devices: effect of the mechanical properties of the crystals on device durability.","Chemical science","2024","15","45","19000","19012","10.1039/d4sc04157g","","x-ray","1.54184","CuKα","","0.0453","0.0417","","","0.1195","0.1233","","","","","","1.053","","","","has coordinates","296437","2024-12-06","17:01:14",""
"1572883","10.0731","0.0004","12.6282","0.0006","12.997","0.0006","100.54","0.004","105.121","0.004","91.458","0.004","1564.45","0.13","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F N -","- C21 H15 F N -","- C84 H60 F4 N4 -","4","2","","Yang, Xi; Chen, Jingru; Zhang, Yang; Di, Yiming; Zhang, Guozhen; Chen, Songhua; Chen, Hongming; Lin, Mei-Jin","A hot exciton organic glassy scintillator for high-resolution X-ray imaging.","Chemical science","2024","15","45","18933","18942","10.1039/d4sc05544f","","x-ray","0.71073","MoKα","","0.0905","0.0472","","","0.104","0.1187","","","","","","1.028","","","","has coordinates","296440","2024-12-06","17:02:35",""
"1572884","7.876","0.008","10.166","0.005","21.176","0.013","78.16","0.05","85.41","0.05","86.98","0.05","1653","2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H34 Cl2 N2 -","- C43 H34 Cl2 N2 -","- C86 H68 Cl4 N4 -","2","1","","Yang, Xi; Chen, Jingru; Zhang, Yang; Di, Yiming; Zhang, Guozhen; Chen, Songhua; Chen, Hongming; Lin, Mei-Jin","A hot exciton organic glassy scintillator for high-resolution X-ray imaging.","Chemical science","2024","15","45","18933","18942","10.1039/d4sc05544f","","","1.54184","CuKα","","0.1097","0.0844","","","0.2186","0.2533","","","","","","1.055","","","","has coordinates","296440","2024-12-06","17:02:35",""
"1572887","7.383","0.0016","9.1133","0.0011","11.059","0.002","90","","98.63","0.016","90","","735.7","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Sm -","- C18 H18 Sm -","- C36 H36 Sm2 -","2","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","x-ray","0.71073","MoKα","","0.1172","0.0959","","","0.2434","0.2613","","","","","","1.004","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572888","11.7622","0.0015","13.1214","0.0018","8.6532","0.0011","90","","90","","90","","1335.5","0.3","150.01","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Y -","- C17 H17 Y -","- C68 H68 Y4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.1092","0.0536","","","0.1128","0.137","","","","","","1.017","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572889","12.0063","0.0007","12.8295","0.001","8.8907","0.0006","90","","90","","90","","1369.48","0.16","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Pr -","- C17 H17 Pr -","- C68 H68 Pr4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0771","0.0342","","","0.0608","0.0663","","","","","","0.788","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572890","12.1385","0.0007","12.7452","0.0011","8.9543","0.0011","90","","90","","90","","1385.3","0.2","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 La -","- C17.001 H17.001 La -","- C68.004 H68.004 La4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","x-ray","0.71073","MoKα","","0.0378","0.0231","","","0.0537","0.0554","","","","","","0.918","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572891","7.0169","0.0006","8.7585","0.0008","11.156","0.0009","90","","101.791","0.006","90","","671.15","0.1","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Y -","- C17 H17 Y -","- C68 H68 Y4 -","4","1","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","x-ray","0.71073","MoKα","","0.1367","0.1254","","","0.2668","0.2712","","","","","","1.171","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572892","11.8553","0.0008","13.0113","0.0008","8.7412","0.0006","90","","90","","90","","1348.36","0.15","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Gd -","- C17 H17 Gd -","- C68 H68 Gd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0643","0.0397","","","0.0866","0.0915","","","","","","0.933","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572893","11.9982","0.0008","12.876","0.0008","8.7824","0.0006","90","","90","","90","","1356.78","0.15","150","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Sm -","- C17 H17 Sm -","- C68 H68 Sm4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0631","0.0324","","","0.0679","0.0822","","","","","","1.009","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572894","12.055","0.004","12.777","0.005","8.864","0.003","90","","90","","90","","1365.3","0.8","150.15","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Pr -","- C17 H17 Pr -","- C68 H68 Pr4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.1319","0.0528","","","0.1097","0.1445","","","","","","1.007","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572895","11.8943","0.0007","12.9414","0.0006","8.8036","0.0006","90","","90","","90","","1355.13","0.14","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Sm -","- C17 H17 Sm -","- C68 H68 Sm4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0561","0.0323","","","0.0697","0.0763","","","","","","0.958","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572896","12.0523","0.0009","12.8172","0.0012","8.9448","0.001","90","","90","","90","","1381.8","0.2","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17.01 H17.01 Ce -","- C17.012 H17.012 Ce -","- C68.048 H68.048 Ce4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0714","0.0329","","","0.0633","0.0692","","","","","","0.917","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572897","11.8081","0.0012","13.0574","0.001","8.669","0.0009","90","","90","","90","","1336.6","0.2","150.02","","150.02","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Dy -","- C17 H17 Dy -","- C68 H68 Dy4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.055","0.0384","","","0.0776","0.0844","","","","","","1.082","","","","has coordinates","296418","2024-12-06","16:52:32",""
"1572898","12.187","0.003","12.736","0.003","8.974","0.002","90","","90","","90","","1392.9","0.6","150.15","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 La -","- C17 H17 La -","- C68 H68 La4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0879","0.0363","","","0.0785","0.098","","","","","","1.011","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572899","11.781","0.006","13.017","0.008","8.708","0.005","90","","90","","90","","1335.4","1.3","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Tb -","- C17 H17 Tb -","- C68 H68 Tb4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0726","0.0447","","","0.1093","0.1274","","","","","","1.101","","","","has coordinates","296418","2024-12-06","16:52:32",""
"1572900","11.7641","0.001","13.1227","0.0012","8.6544","0.0009","90","","90","","90","","1336","0.2","150.01","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Ho -","- C17 H17 Ho -","- C68 H68 Ho4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0615","0.0379","","","0.064","0.0677","","","","","","0.842","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572901","12.0748","0.0018","12.8129","0.0019","8.8427","0.0014","90","","90","","90","","1368.1","0.4","150.15","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Nd -","- C17 H17 Nd -","- C68 H68 Nd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.1015","0.0389","","","0.0861","0.1087","","","","","","1.022","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572902","12.1258","0.0014","12.7752","0.0016","8.919","0.001","90","","90","","90","","1381.6","0.3","5","","5","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Ce -","- C17 H17 Ce -","- C68 H68 Ce4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0635","0.0267","","","0.0562","0.0676","","","","","","1.009","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572903","11.983","0.002","12.877","0.003","8.8927","0.0017","90","","90","","90","","1372.2","0.5","149.99","","149.99","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Nd -","- C17 H17 Nd -","- C68 H68 Nd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0885","0.0396","","","0.0849","0.1043","","","","","","1.047","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572904","11.9615","0.0015","12.9116","0.0019","8.7283","0.001","90","","90","","90","","1348","0.3","150.01","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Gd -","- C17 H17 Gd -","- C68 H68 Gd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.11","0.0486","","","0.096","0.1171","","","","","","0.997","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572905","16.4316","0.0016","19.567","0.0017","23.352","0.002","108.849","0.005","108.693","0.005","92.157","0.005","6646.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H124 Er2 N17 Nd O21 -","- C160 H124 Er2 N17 Nd O21 -","- C320 H248 Er4 N34 Nd2 O42 -","2","1","","Maniaki, Diamantoula; Sickinger, Annika; Barrios, Leoní A; Aguilà, David; Roubeau, Olivier; Guyot, Yannick; Riobé, François; Maury, Olivier; Abad Galán, Laura; Aromí, Guillem","Energy exchange between Nd<sup>3+</sup> and Er<sup>3+</sup> centers within molecular complexes.","Chemical science","2024","15","44","18295","18302","10.1039/d4sc03994g","","","0.71073","MoKα","","0.0833","0.0558","","","0.132","0.1499","","","","","","1.026","","","","has coordinates,has disorder","296356","2024-12-06","16:21:56",""
"1572906","7.6082","0.0004","11.0116","0.0011","10.8744","0.0013","89.49","0.009","98.254","0.007","89.986","0.006","901.57","0.15","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C42 H58 N2 O10 -","2","1","","Kage, Mirai; Yamakoshi, Hiroyuki; Tabata, Manami; Ohashi, Eisaku; Noguchi, Kimihiro; Watanabe, Takeshi; Uchida, Manato; Takada, Minetatsu; Ikeuchi, Kazutada; Nakamura, Seiichi","Oxidative generation of isobenzofurans from phthalans: application to the formal synthesis of (±)-morphine.","Chemical science","2024","15","45","19070","19076","10.1039/d4sc05890a","","","0.71073","MoKα","","0.1234","0.1083","","","0.2898","0.3177","","","","","","1.322","","","","has coordinates","296442","2024-12-06","17:03:21",""
"1572907","6.2444","0.0003","9.2125","0.0004","6.7656","0.0003","90","","94.855","0.002","90","","387.81","0.03","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C14 H20 Cl2 N2 O2 -","2","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0312","0.0253","","","0.0621","0.0682","","","","","","1.116","","","","has coordinates,has disorder","296436","2024-12-06","17:00:50",""
"1572908","7.2301","0.0013","7.416","0.002","11.002","0.003","90","","90","","90","","589.9","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 Cl N O -","- C5 H6 Cl N O -","- C20 H24 Cl4 N4 O4 -","4","1","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.1021","0.0933","","","0.224","0.2335","","","","","","1.107","","","","has coordinates,has disorder","296436","2024-12-06","17:00:51",""
"1572909","6.9789","0.0007","7.1228","0.0006","8.6438","0.0009","90","","92.072","0.004","90","","429.4","0.07","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H9 Cl2 N O -","- C7 H9 Cl2 N O -","- C14 H18 Cl4 N2 O2 -","2","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0512","0.0373","","","0.0756","0.0887","","","","","","1.261","","","","has coordinates,has disorder","296436","2024-12-06","17:00:51",""
"1572910","11.8112","0.0005","8.9258","0.0003","17.6828","0.0008","90","","108.178","0.001","90","","1771.16","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 Cl3 N2 O4 -","- C14 H19 Cl3 N2 O4 -","- C56 H76 Cl12 N8 O16 -","4","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0414","0.0363","","","0.091","0.0951","","","","","","1.119","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572911","8.8661","0.0005","10.3264","0.0004","10.6277","0.0006","90","","90","","90","","973.02","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 Cl N O -","- C9 H14 Cl N O -","- C36 H56 Cl4 N4 O4 -","4","1","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0213","0.0204","","","0.052","0.0528","","","","","","1.088","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572912","7.3618","0.0017","8.291","0.002","13.265","0.003","85.903","0.009","88.725","0.007","66.463","0.008","740.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 Cl3 N4 O4 -","- C28 H37 Cl3 N4 O4 -","- C28 H37 Cl3 N4 O4 -","1","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.1128","0.06","","","0.1249","0.1578","","","","","","1.059","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572913","7.7469","0.0004","9.1814","0.0005","13.0548","0.0007","82.272","0.002","80.701","0.002","66.1","0.002","835.32","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 Cl N O2 -","- C7 H10 Cl N O2 -","- C28 H40 Cl4 N4 O8 -","4","2","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0359","0.0269","","","0.061","0.0665","","","","","","1.046","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572914","6.027","0.003","11.706","0.006","15.295","0.009","71.538","0.019","81.375","0.019","89.527","0.014","1011.1","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 Cl3 N2 O2 -","- C22 H19 Cl3 N2 O2 -","- C44 H38 Cl6 N4 O4 -","2","1","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.3614","0.1321","","","0.2983","0.438","","","","","","1.086","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572915","13.8648","0.001","13.76","0.0008","16.1649","0.0015","90","","115.221","0.002","90","","2789.9","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 Cl2 N O -","- C5 H5 Cl2 N O -","- C80 H80 Cl32 N16 O16 -","16","2","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0874","0.0758","","","0.246","0.2593","","","","","","1.282","","","","has coordinates,has disorder","296436","2024-12-06","17:00:51",""
"1572916","7.2228","0.0013","8.5908","0.0016","8.6321","0.0017","68.449","0.006","65.454","0.006","78.43","0.007","452.42","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl3 N2 O2 -","- C16 H23 Cl3 N2 O2 -","- C16 H23 Cl3 N2 O2 -","1","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0479","0.0339","","","0.0848","0.0954","","","","","","1.048","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572918","8.0774","0.0002","18.4805","0.0005","17.7635","0.0005","90","","99.271","0.001","90","","2617","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ThBz-CPC-Ox","","- C38 H21 N2 O P S -","- C38 H21 N2 O P S -","- C152 H84 N8 O4 P4 S4 -","4","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.34138","GaKα","","0.0402","0.0336","","","0.0851","0.088","","","","","","1.032","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572919","13.6771","0.0008","14.4294","0.0009","14.6848","0.0009","60.57","","84.003","0.002","77.723","0.002","2466.4","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H39 N4 O P S -","- C62 H39 N4 O P S -","- C124 H78 N8 O2 P2 S2 -","2","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0759","0.0707","","","0.1898","0.1949","","","","","","1.049","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572920","20.9037","0.0014","14.1564","0.0009","21.8058","0.0015","90","","90","","90","","6452.8","0.7","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H21 N2 P S2 -","- C38 H21 N2 P S2 -","- C304 H168 N16 P8 S16 -","8","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0636","0.0628","","","0.1739","0.1754","","","","","","1.064","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572921","11.486","0.0003","14.0112","0.0004","15.5461","0.0005","79.869","0.001","84.017","0.001","87.229","0.001","2448.3","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H47 N4 O2 P S -","- C66 H47 N4 O2 P S -","- C132 H94 N8 O4 P2 S2 -","2","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0739","0.0696","","","0.1918","0.1988","","","","","","1.079","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572922","13.804","0.0002","21.4141","0.0004","11.1906","0.0002","90","","96.056","0.002","90","","3289.48","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 B S4 Si -","- C35 H37 B S4 Si -","- C140 H148 B4 S16 Si4 -","4","1","","Yamada, Kohei; Adachi, Yohei; Ohshita, Joji","Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms.","Chemical science","2024","15","45","18985","18991","10.1039/d4sc06150k","","x-ray","0.71073","MoKα","","0.0386","0.0311","","","0.075","0.0778","","","","","","1.046","","","","has coordinates","296438","2024-12-06","17:01:32",""
"1572923","8.9658","0.0002","24.7394","0.0005","17.7919","0.0004","90","","98.333","0.002","90","","3904.73","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 B S4 Si -","- C45 H41 B S4 Si -","- C180 H164 B4 S16 Si4 -","4","1","","Yamada, Kohei; Adachi, Yohei; Ohshita, Joji","Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms.","Chemical science","2024","15","45","18985","18991","10.1039/d4sc06150k","","x-ray","0.71073","MoKα","","0.0559","0.0412","","","0.0915","0.0961","","","","","","1.057","","","","has coordinates","296438","2024-12-06","17:01:33",""
"1572924","9.0376","0.0002","15.9768","0.0004","15.9911","0.0003","98.872","0.002","94.418","0.002","102.867","0.002","2209.16","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H45 B S4 Si -","- C53 H45 B S4 Si -","- C106 H90 B2 S8 Si2 -","2","1","","Yamada, Kohei; Adachi, Yohei; Ohshita, Joji","Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms.","Chemical science","2024","15","45","18985","18991","10.1039/d4sc06150k","","x-ray","0.71073","MoKα","","0.0444","0.0353","","","0.0864","0.0899","","","","","","1.046","","","","has coordinates","296438","2024-12-06","17:01:33",""
"1572925","19.117","0.016","19.984","0.01","32.685","0.017","90","","102.54","0.03","90","","12189","14","95","2","95.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C285.82 H340.26 N8 Si4 -","- C285.812 H340.228 N8 Si4 -","- C571.624 H680.456 N16 Si8 -","2","0.5","","Li, Ke; Yoshida, Satoshi; Yakushiji, Ryo; Liu, Xingchi; Ge, Chang; Xu, Zhuofan; Ni, Yong; Ma, Xiaonan; Wu, Jishan; Sato, Sota; Sun, Zhe","Molecular cylinders with donor-acceptor structure and swinging motion.","Chemical science","2024","15","45","18832","18839","10.1039/d4sc05849f","","","0.9","synchrotron","","0.1282","0.0928","","","0.2595","0.3038","","","","","","1.148","","","","has coordinates,has disorder","296434","2024-12-06","17:00:10",""
"1572926","13.6277","0.0004","14.8406","0.0004","20.3507","0.0005","98.3","0.002","93.13","0.002","116.152","0.003","3623.2","0.2","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H82 O3 P4 Pd4 -","- C84 H82 O3 P4 Pd4 -","- C168 H164 O6 P8 Pd8 -","2","1","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.0378","0.0308","","","0.074","0.0777","","","","","","1.025","","","","has coordinates","296358","2024-12-06","16:22:35",""
"1572927","13.9903","0.0002","15.1118","0.0002","19.6632","0.0003","82.3154","0.0014","83.154","0.0013","82.3315","0.0013","4061.19","0.1","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86.91 H86.4 Cl4.87 O P4 Pd4 -","- C86.911 H86.412 Cl4.872 O P4 Pd4 -","- C173.822 H172.824 Cl9.744 O2 P8 Pd8 -","2","1","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.0374","0.0326","","","0.0847","0.0874","","","","","","1.025","","","","has coordinates,has disorder","296358","2024-12-06","16:22:35",""
"1572928","15.0801","0.0003","15.0825","0.0003","16.2726","0.0002","79.726","0.001","74.132","0.001","63.091","0.002","3168.19","0.11","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 B2 F O5 P3 Pd4 -","- C63 H60 B2 F O5 P3 Pd4 -","- C126 H120 B4 F2 O10 P6 Pd8 -","2","1","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.0469","0.0376","","","0.1006","0.1056","","","","","","1.052","","","","has coordinates,has disorder","296358","2024-12-06","16:22:35",""
"1572929","15.4929","0.0002","20.2644","0.0003","32.5025","0.0005","75.5537","0.0014","85.6199","0.0013","84.3876","0.0013","9820","0.3","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C94 H104 O6 P5 Pd6 -","- C94 H104 O6 P5 Pd6 -","- C376 H416 O24 P20 Pd24 -","4","2","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.075","0.0645","","","0.1806","0.189","","","","","","1.046","","","","has coordinates,has disorder","296358","2024-12-06","16:22:35",""
"1572931","15.8412","0.0018","3.9132","0.0004","28.452","0.003","90","","102.031","0.003","90","","1725","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H11 B S4 -","- C22 H11 B S4 -","- C88 H44 B4 S16 -","4","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.105","0.0969","","","0.2766","0.2846","","","","","","1.105","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572932","3.9616","0.0002","19.677","0.0011","19.981","0.0009","90","","90","","90","","1557.57","0.14","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H11 B S3 -","- C20 H11 B S3 -","- C80 H44 B4 S12 -","4","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.1268","0.0585","","","0.1252","0.1575","","","","","","1.007","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572933","13.507","0.001","7.4267","0.0005","19.947","0.0015","90","","90","","90","","2000.9","0.3","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C11 H5.5 B0.5 S2 -","- C11 H5.5 B0.5 S2 -","- C88 H44 B4 S16 -","8","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0666","0.0449","","","0.1105","0.122","","","","","","0.995","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572934","18.0631","0.0008","7.556","0.0003","22.9236","0.0011","90","","90","","90","","3128.7","0.2","281","2","281","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H11 B S3 -","- C20 H11 B S3 -","- C160 H88 B8 S24 -","8","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0371","0.0305","","","0.0832","0.0893","","","","","","1.007","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572935","50.501","0.011","14.437","0.003","20.652","0.005","90","","110.306","0.006","90","","14121","5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 B N S4 -","- C42 H34 B N S4 -","- C672 H544 B16 N16 S64 -","16","2","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.1531","0.077","","","0.1842","0.2362","","","","","","1.056","","","","has coordinates,has disorder","296413","2024-12-06","16:50:19",""
"1572936","12.5062","0.001","13.0995","0.0013","22.288","0.002","96.768","0.003","96.462","0.003","90.512","0.003","3601.9","0.6","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H68 B2 N2 S8 -","- C84 H68 B2 N2 S8 -","- C168 H136 B4 N4 S16 -","2","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0718","0.0508","","","0.1425","0.1539","","","","","","1.08","","","","has coordinates,has disorder","296413","2024-12-06","16:50:19",""
"1572937","20.74","0.004","4.425","0.0009","18.376","0.004","90","","94.79","0.03","90","","1680.6","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N6 -","- C21 H14 N6 -","- C84 H56 N24 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.0683","0.0608","","","0.1726","0.18","","","","","","1.093","","","","has coordinates","296441","2024-12-06","17:03:10",""
"1572938","16.859","0.003","23.453","0.005","17.529","0.01","90","","90.35","0.03","90","","6931","4","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C122 H113 B3 F12 N43 Pd2 -","- C100 H80 B3 F12 N32 Pd2 -","- C200 H160 B6 F24 N64 Pd4 -","2","0.25","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","MoKα","","0.0621","0.0534","","","0.1563","0.1629","","","","","","0.984","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572939","14.864","0.003","57.355","0.012","27.051","0.005","90","","90","","90","","23062","8","100","2","100","2","","","","","","","","8","C c c 2","C 2 -2c","37","","","","- C187 H136 B7 Br Cl27 F28 N53 Pd4 -","- C172 H116 B7 Br Cl12 F28 N48 Pd4 -","- C688 H464 B28 Br4 Cl48 F112 N192 Pd16 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.0904","0.0784","","","0.2322","0.2491","","","","","","1.052","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572940","14.977","0.003","27.843","0.006","49.372","0.01","90","","90","","90","","20588","7","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C182 H130 B Cl27 F4 N51.5 O20.25 Pd4 -","- C172 H116 B Cl18 F4 N48 O20 Pd4 -","- C688 H464 B4 Cl72 F16 N192 O80 Pd16 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.1612","0.0949","","","0.2667","0.3166","","","","","","1.041","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572941","14.916","0.003","27.009","0.005","58.19","0.012","90","","90","","90","","23443","8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C379 H277 B14 Cl71 F56 N106 Pd8 -","- C339 H227 B14 Cl11 F56 N96 Pd8 -","- C678 H454 B28 Cl22 F112 N192 Pd16 -","2","0.25","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.1433","0.1212","","","0.4093","0.4229","","","","","","1.605","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572942","8.5111","0.0003","11.2673","0.0004","12.0154","0.0005","90.902","0.002","99.837","0.002","110.12","0.002","1062.56","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 O2 S2 -","- C11 H10 O2 S2 -","- C44 H40 O8 S8 -","4","2","","Stühler, Merlin R; Kreische, Marie; Fornacon-Wood, Christoph; Rupf, Susanne M.; Langer, Robert; Plajer, Alex J.","Monomer centred selectivity guidelines for sulfurated ring-opening copolymerisations.","Chemical science","2024","15","45","19029","19036","10.1039/d4sc05858e","","","0.71073","MoKα","","0.0609","0.0381","","","0.0812","0.0999","","","","","","1.114","","","","has coordinates","296431","2024-12-06","16:59:17",""
"1572970","13.0359","0.0007","12.4928","0.0007","7.6471","0.0004","90","","97.074","0.002","90","","1235.89","0.12","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 Se -","- C15 H12 O2 Se -","- C60 H48 O8 Se4 -","4","1","","Sarkar, Utsav Dey; Rana, Mahima; Chakrapani, Harinath","Phenacylselenoesters allow facile selenium transfer and hydrogen selenide generation.","Chemical science","2024","15","46","19315","19321","10.1039/d4sc05788k","","","0.71073","MoKα","","0.0214","0.0184","","","0.0445","0.0459","","","","","","1.089","","","","has coordinates","296417","2024-12-06","16:51:56",""
"1572977","15.6986","0.0003","17.2101","0.0003","17.628","0.0003","76.436","0.002","71.465","0.002","89.91","0.002","4375.87","0.15","102.1","","102.1","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H28 F34 Fe2 N4 O16 Ru4 -","- C88 H28 F34 Fe2 N4 O16 Ru4 -","- C176 H56 F68 Fe4 N8 O32 Ru8 -","2","1","","Liu, Qingxin; Kosaka, Wataru; Miyasaka, Hitoshi","Dynamic spin reordering in a hybrid layered ferrimagnet with intercalated biferrocenium radicals.","Chemical science","2024","15","46","19411","19419","10.1039/d4sc04722b","","x-ray","0.71073","MoKα","","0.0603","0.0394","","","0.0865","0.0923","","","","","","1.025","","","","has coordinates","296415","2024-12-06","16:51:19",""
"1572978","15.6132","0.0004","17.0211","0.0004","17.6801","0.0005","76.27","0.002","71.301","0.002","89.251","0.002","4313.2","0.2","102.1","","102.1","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H28 F34 Fe2 N4 O16 Rh4 -","- C88 H28 F34 Fe2 N4 O16 Rh4 -","- C176 H56 F68 Fe4 N8 O32 Rh8 -","2","1","","Liu, Qingxin; Kosaka, Wataru; Miyasaka, Hitoshi","Dynamic spin reordering in a hybrid layered ferrimagnet with intercalated biferrocenium radicals.","Chemical science","2024","15","46","19411","19419","10.1039/d4sc04722b","","x-ray","0.71073","MoKα","","0.1246","0.0732","","","0.166","0.187","","","","","","1.026","","","","has coordinates","296415","2024-12-06","16:51:20",""
"1572988","9.9809","0.0008","12.4367","0.0011","21.6963","0.0018","90","","90","","90","","2693.1","0.4","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","You, Yipeng; Zhang, Xue-Jie; Xiao, Wen; Kunthic, Thittaya; Xiang, Zheng; Xu, Chen","Unified enantiospecific synthesis of drimane meroterpenoids enabled by enzyme catalysis and transition metal catalysis.","Chemical science","2024","15","46","19307","19314","10.1039/d4sc06060a","","x-ray","1.34138","GaKα","","0.0289","0.0282","","","0.076","0.0767","","","","","","1.06","","","","has coordinates","296420","2024-12-06","16:53:04",""
"1572989","12.2439","0.001","15.9738","0.0014","16.1746","0.0014","115.689","0.003","99.245","0.003","102.148","0.003","2670.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H86 Dy6 O83 S20 -","- C50 H56 Dy6 O68 S20 -","- C50 H56 Dy6 O68 S20 -","1","0.5","","Manna, Fabio; Oggianu, Mariangela; Auban-Senzier, Pascale; Novitchi, Ghenadie; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","A highly conducting tetrathiafulvalene-tetracarboxylate based dysprosium(iii) 2D metal-organic framework with single molecule magnet behaviour.","Chemical science","2024","15","46","19247","19263","10.1039/d4sc05763e","","","0.71073","MoKα","","0.0423","0.0325","","","0.0684","0.0716","","","","","","1.059","","","","has coordinates","296409","2024-12-06","16:48:20",""
"1572993","6.8905","0.0017","21.852","0.005","12.298","0.003","90","","90","","90","","1851.7","0.8","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 N13 O3 Rb3 -","- C9 H6 N13 O3 Rb3 -","- C36 H24 N52 O12 Rb12 -","4","1","","Dou, Danyang; Zhang, Bingbing; Yang, Daqing; Wang, Ying","Large second harmonic generation and birefringence from extended octupolar π-conjugated structures.","Chemical science","2024","15","46","19496","19503","10.1039/d4sc05756b","","x-ray","0.71073","MoKα","","0.0388","0.0357","","","0.0964","0.0992","","","","","","1.129","","","","has coordinates","296412","2024-12-06","16:49:43",""
"1572994","6.898","0.003","21.946","0.008","12.324","0.003","90","","90","","90","","1865.7","1.2","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 Cs3 N13 O3 -","- C9 H6 Cs3 N13 O3 -","- C36 H24 Cs12 N52 O12 -","4","1","","Dou, Danyang; Zhang, Bingbing; Yang, Daqing; Wang, Ying","Large second harmonic generation and birefringence from extended octupolar π-conjugated structures.","Chemical science","2024","15","46","19496","19503","10.1039/d4sc05756b","","x-ray","0.71073","MoKα","","0.0692","0.0517","","","0.1139","0.1217","","","","","","1.084","","","","has coordinates","296412","2024-12-06","16:49:44",""
"1573003","31.326","0.003","23.4652","0.0019","24.275","0.002","90","","90","","90","","17844","3","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H21 As3 Mo10 N3 O41 Se -","- C18 H21 As3 Mo10 N3 O41 Se -","- C144 H168 As24 Mo80 N24 O328 Se8 -","8","1","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.0759","0.0619","","","0.1647","0.1721","","","","","","1.078","","","","has coordinates","295751","2024-11-04","11:12:18",""
"1573004","13.93","0.003","20.189","0.005","24.369","0.006","91.991","0.007","99.609","0.008","90.075","0.008","6753","3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 As4 Mo20 N4 O82 Se2.63 -","- C24 H27 As4 Mo20 N4 O82 Se2.63 -","- C48 H54 As8 Mo40 N8 O164 Se5.26 -","2","1","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.1878","0.141","","","0.3559","0.3731","","","","","","1.226","","","","has coordinates,has disorder","295751","2024-11-04","11:12:20",""
"1573005","12.1018","0.0014","15.6636","0.0019","22.209","0.003","99.665","0.004","94.683","0.004","108.62","0.004","3891.5","0.8","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H38 As6 Ce2 Mo20 N6 O94 Se2 -","- C36 H38 As6 Ce2 Mo20 N6 O94 Se2 -","- C36 H38 As6 Ce2 Mo20 N6 O94 Se2 -","1","0.5","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.0422","0.0309","","","0.0724","0.0759","","","","","","1.049","","","","has coordinates,has disorder","295751","2024-11-04","11:12:20",""
"1573006","7.8096","0.0002","11.2175","0.0003","38.8558","0.0009","90","","90","","90","","3403.93","0.15","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 Cl4 N2 -","- C42 H30 Cl4 N2 -","- C168 H120 Cl16 N8 -","4","1","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","1.54178","CuKα","","0.0584","0.0542","","","0.1348","0.1389","","","","","","1.041","","","","has coordinates","295752","2024-11-04","11:13:24",""
"1573007","7.8033","0.0008","11.2205","0.0012","38.855","0.004","90","","90","","90","","3402","0.6","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 Cl4 N2 -","- C42 H30 Cl4 N2 -","- C168 H120 Cl16 N8 -","4","1","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","1.34139","GaKα","","0.0748","0.0611","","","0.1502","0.1596","","","","","","1.065","","","","has coordinates","295752","2024-11-04","11:13:28",""
"1573008","25.6752","0.0014","7.7929","0.0004","22.2195","0.0018","90","","123.416","0.002","90","","3710.9","0.4","170","","170","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C109 H70 Cl2 N4 -","- C109 H70 Cl2 N4 -","- C218 H140 Cl4 N8 -","2","0.5","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","1.34139","GaKα","","0.0626","0.0449","","","0.0995","0.1066","","","","","","1.046","","","","has coordinates,has disorder","295752","2024-11-04","11:13:30",""
"1573009","14.082","0.002","16.518","0.002","26.742","0.004","90","","90","","90","","6220.4","1.5","294.3","","294.3","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C75 H48 Cl2 N4 -","- C75 H48 Cl2 N4 -","- C300 H192 Cl8 N16 -","4","1","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","0.71073","MoKα","","0.2236","0.0809","","","0.1751","0.2455","","","","","","0.927","","","","has coordinates","295752","2024-11-04","11:13:41",""
"1573010","5.994","0.0001","16.4455","0.0004","24.7082","0.0006","90","","90","","90","","2435.59","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C112 H136 N8 O12 -","4","1","","Tan, Jiuqi; Yang, Longqing; Su, Hanyu; Yang, Yuntian; Zhong, Ziwei; Feng, Xiaoming; Liu, Xiaohua","Visible-light-driven asymmetric aldol reaction of ketones and glycinates <i>via</i> synergistic Lewis acid/photoredox catalysis.","Chemical science","2024","15","39","16050","16058","10.1039/d4sc04900d","","","1.54178","CuKα","","0.0777","0.0713","","","0.1488","0.1535","","","","","","1.112","","","","has coordinates","295753","2024-11-04","11:16:26",""
"1573011","9.092","0.0003","10.7481","0.0003","15.4529","0.0005","92.2249","0.0014","103.007","0.0013","95.7954","0.0012","1460.87","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H30 B2 -","- C44 H30 B2 -","- C88 H60 B4 -","2","1","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0679","0.0523","","","0.1408","0.1488","","","","","","1.065","","","","has coordinates","295754","2024-11-04","11:17:41",""
"1573012","8.1524","0.0002","8.4349","0.0002","40.5242","0.0011","90","","90","","90","","2786.63","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H24 B2 F2 -","- C42 H24 B2 F2 -","- C168 H96 B8 F8 -","4","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0587","0.0524","","","0.1507","0.155","","","","","","1.106","","","","has coordinates","295754","2024-11-04","11:17:46",""
"1573013","19.8935","0.0012","7.5081","0.0004","11.7916","0.0007","90","","92.113","0.002","90","","1760.02","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 B2 -","- C48 H38 B2 -","- C96 H76 B4 -","2","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0462","0.0427","","","0.1176","0.1221","","","","","","1.038","","","","has coordinates","295754","2024-11-04","11:17:56",""
"1573014","43.961","0.002","9.5533","0.0004","7.9022","0.0004","90","","95.191","0.003","90","","3305.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H30 B2 -","- C50 H30 B2 -","- C200 H120 B8 -","4","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0669","0.0507","","","0.1375","0.1491","","","","","","1.03","","","","has coordinates","295754","2024-11-04","11:17:57",""
"1573015","15.6381","0.0008","14.3429","0.0006","8.1555","0.0004","90","","98.268","0.002","90","","1810.23","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B -","- C27 H19 B -","- C108 H76 B4 -","4","1","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","0.71073","MoKα","","0.049","0.0436","","","0.1184","0.1243","","","","","","1.052","","","","has coordinates","295754","2024-11-04","11:17:59",""
"1573016","9.3575","0.0002","12.6004","0.0003","17.5852","0.0005","96.4677","0.0012","98.9712","0.0013","104.136","0.0012","1961.32","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 B2 S2 -","- C38 H22 B2 S2 -","- C114 H66 B6 S6 -","3","1.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.051","0.0393","","","0.102","0.1123","","","","","","1.023","","","","has coordinates,has disorder","295754","2024-11-04","11:17:59",""
"1573017","7.49","0.07","10.23","0.09","10.81","0.1","82.27","0.03","87.799","0.013","70.095","0.013","772","12","298","","298","","","","","","","","see text","4","P -1","-P 1","2","","","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C36 H28 N4 O16 -","4","2","","Vinod, Kavya; Mathew, Renny; Jandl, Christian; Thomas, Brijith; Hariharan, Mahesh","Electron diffraction and solid-state NMR reveal the structure and exciton coupling in a eumelanin precursor.","Chemical science","2024","15","39","16015","16024","10.1039/d4sc05453a","","","0.02851","electron","","0.188","0.1365","","","0.3234","0.3604","","","","","","1.088","","","","has coordinates","295755","2024-11-04","11:19:59",""
"1573018","9.9066","0.0002","9.8822","0.0002","14.8879","0.0002","90","","92.988","0.001","90","","1455.53","0.05","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N P -","- C17 H14 N P -","- C68 H56 N4 P4 -","4","1","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","x-ray","1.54184","CuKα","","0.0445","0.0379","","","0.0979","0.1014","","","","","","1.047","","","","has coordinates","295756","2024-11-04","11:22:21",""
"1573019","16.4372","0.0006","8.2217","0.0003","26.8461","0.0009","90","","96.244","0.003","90","","3606.5","0.2","268.55","0.1","268.55","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cd Cl4 N2 P2 -","- C34 H30 Cd Cl4 N2 P2 -","- C136 H120 Cd4 Cl16 N8 P8 -","4","0.5","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","x-ray","0.71073","MoKα","","0.0509","0.0367","","","0.0895","0.0982","","","","","","1.033","","","","has coordinates","295756","2024-11-04","11:22:22",""
"1573020","16.3042","0.0012","8.1166","0.0006","26.7689","0.0019","90","","96.491","0.002","90","","3519.7","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl4 N2 P2 Zn -","- C34 H30 Cl4 N2 P2 Zn -","- C136 H120 Cl16 N8 P8 Zn4 -","4","0.5","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","","0.71073","MoKα","","0.0729","0.0445","","","0.0987","0.1087","","","","","","1.013","","","","has coordinates","295756","2024-11-04","11:22:22",""
"1573021","11.734","0.0007","8.8163","0.0004","20.568","0.0011","90","","100.522","0.002","90","","2091.99","0.19","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl4 N P Sb -","- C17 H15 Cl4 N P Sb -","- C68 H60 Cl16 N4 P4 Sb4 -","4","1","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","","0.71073","MoKα","","0.0635","0.0402","","","0.0848","0.0941","","","","","","1.023","","","","has coordinates","295756","2024-11-04","11:22:22",""
"1573022","16.3477","0.001","8.1633","0.0005","26.8181","0.0016","90","","96.399","0.002","90","","3556.6","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl4 Mn N2 P2 -","- C34 H30 Cl4 Mn N2 P2 -","- C136 H120 Cl16 Mn4 N8 P8 -","4","0.5","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","","0.71073","MoKα","","0.0608","0.0386","","","0.0888","0.0973","","","","","","1.043","","","","has coordinates","295756","2024-11-04","11:22:23",""
"1573023","38.6708","0.0006","24.18","0.0002","26.6822","0.0006","90","","108.601","0.002","90","","23646.2","0.7","169.99","0.1","169.99","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C137 H171 Cl3 -","- C137 H171 Cl3 -","- C1096 H1368 Cl24 -","8","1","","Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei","π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.","Chemical science","2024","15","40","16529","16535","10.1039/d4sc03460k","","x-ray","1.54178","CuKα","","0.1397","0.1161","","","0.3203","0.335","","","","","","2.231","","","","has coordinates,has disorder","295757","2024-11-04","11:24:59",""
"1573024","46.521","0.002","45.59","0.002","24.322","0.002","90","","90","","90","","51584","5","117.4","0.14","117.4","0.14","","","","","","","","2","F d d d :2","-F 2uv 2vw","70","","","","- C136 H158 -","- C136 H158 -","- C2176 H2528 -","16","0.5","","Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei","π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.","Chemical science","2024","15","40","16529","16535","10.1039/d4sc03460k","","x-ray","0.71073","MoKα","","0.2174","0.12","","","0.2732","0.3108","","","","","","1.244","","","","has coordinates,has disorder","295757","2024-11-04","11:25:01",""
"1573025","23.7294","0.0002","16.1006","0.0001","31.9392","0.0002","90","","101.58","0.001","90","","11954.2","0.15","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C142 H163 Cl -","- C142 H163 Cl -","- C568 H652 Cl4 -","4","1","","Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei","π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.","Chemical science","2024","15","40","16529","16535","10.1039/d4sc03460k","","x-ray","1.54184","CuKα","","0.09","0.0701","","","0.2011","0.2191","","","","","","1.035","","","","has coordinates,has disorder","295757","2024-11-04","11:25:02",""
"1573026","14.1161","0.0002","12.9639","0.0002","14.5367","0.0002","90","","103.95","0.001","90","","2581.75","0.07","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C116 H136 N8 O8 -","4","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0436","0.0387","","","0.1004","0.1042","","","","","","1.062","","","","has coordinates","295758","2024-11-04","11:27:01",""
"1573027","9.61","0.0002","9.7457","0.0002","15.681","0.0003","95.477","0.001","94.558","0.001","109.67","0.002","1366.82","0.05","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N2 O2 -","- C33 H34 N2 O2 -","- C66 H68 N4 O4 -","2","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0397","0.0361","","","0.0915","0.0944","","","","","","1.061","","","","has coordinates","295758","2024-11-04","11:27:06",""
"1573028","10.9149","0.0001","20.5392","0.0002","11.4675","0.0001","90","","103.434","0.001","90","","2500.48","0.04","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C120 H120 N8 O8 -","4","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0407","0.036","","","0.0929","0.096","","","","","","1.062","","","","has coordinates","295758","2024-11-04","11:27:08",""
"1573029","21.3491","0.0003","9.9395","0.0001","22.8671","0.0003","90","","90","","90","","4852.38","0.11","150","0.2","150","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Br N2 O2 -","- C29 H27 Br N2 O2 -","- C232 H216 Br8 N16 O16 -","8","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0426","0.0378","","","0.0912","0.093","","","","","","1.193","","","","has coordinates","295758","2024-11-04","11:27:08",""
"1573030","10.2249","0.0003","12.0964","0.0003","22.9051","0.0004","85.525","0.002","78.49","0.002","68.897","0.003","2589.8","0.12","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C116 H136 N8 O8 -","4","2","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0399","0.0351","","","0.0857","0.0905","","","","","","1.043","","","","has coordinates","295758","2024-11-04","11:27:09",""
"1573031","13.4362","0.0002","20.4573","0.0003","20.6327","0.0003","108.908","0.001","102.909","0.001","97.883","0.001","5092.84","0.14","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 I N2 O2 -","- C27 H29 I N2 O2 -","- C216 H232 I8 N16 O16 -","8","4","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.03","0.0246","","","0.0673","0.0701","","","","","","1.075","","","","has coordinates,has disorder","295758","2024-11-04","11:27:09",""
"1573039","11.454","0.0002","11.5998","0.0002","15.4489","0.0003","90","","90","","90","","2052.6","0.06","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 N2 O4 Os -","- C18 H36 N2 O4 Os -","- C72 H144 N8 O16 Os4 -","4","1","","Summersgill, Matthew D.; Gahan, Lawrence R.; Chow, Sharon; Pierens, Gregory K.; Bernhardt, Paul V.; Krenske, Elizabeth H.; Williams, Craig M.","Hyperstable alkenes: are they remarkably unreactive?","Chemical science","2024","15","46","19299","19306","10.1039/d4sc06697a","","x-ray","1.54184","CuKα","","0.0397","0.0384","","","0.0953","0.0965","","","","","","1.048","","","","has coordinates,has disorder","296414","2024-12-06","16:50:36",""
"1573040","14.241","0.003","13.816","0.002","22.522","0.004","90","","90","","90","","4431.3","1.4","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H40 N2 O5 Os -","- C19 H40 N2 O5 Os -","- C152 H320 N16 O40 Os8 -","8","1","","Summersgill, Matthew D.; Gahan, Lawrence R.; Chow, Sharon; Pierens, Gregory K.; Bernhardt, Paul V.; Krenske, Elizabeth H.; Williams, Craig M.","Hyperstable alkenes: are they remarkably unreactive?","Chemical science","2024","15","46","19299","19306","10.1039/d4sc06697a","","x-ray","1.54178","CuKα","","0.0536","0.0474","","","0.1317","0.1382","","","","","","1.057","","","","has coordinates,has disorder","296414","2024-12-06","16:50:37",""
"1573041","11.83321","0.0001","6.75791","0.00005","14.58577","0.00012","90","","106.275","0.0009","90","","1119.65","0.016","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Whalley, David M.; Carlino, Luca; Putra, Okky Dwichandra; Anderson, Niall A.; Coote, Susannah C.; Lorthioir, Olivier","Merging nucleophilic phosphine catalysis and photocatalysis for the rapid assembly of 2-oxabicyclo-[2.1.1]hexane scaffolds from feedstock allyl alcohols.","Chemical science","2024","15","46","19564","19570","10.1039/d4sc06684g","","x-ray","1.54184","CuKα","","0.0339","0.0332","","","0.08","0.0804","","","","","","1.051","","","","has coordinates","296419","2024-12-06","16:52:51",""
"1573042","5.72327","0.00003","7.75796","0.00005","24.60196","0.00014","90","","90","","90","","1092.35","0.011","100","0.1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Whalley, David M.; Carlino, Luca; Putra, Okky Dwichandra; Anderson, Niall A.; Coote, Susannah C.; Lorthioir, Olivier","Merging nucleophilic phosphine catalysis and photocatalysis for the rapid assembly of 2-oxabicyclo-[2.1.1]hexane scaffolds from feedstock allyl alcohols.","Chemical science","2024","15","46","19564","19570","10.1039/d4sc06684g","","x-ray","1.54184","CuKα","","0.0247","0.0245","","","0.0624","0.0626","","","","","","1.061","","","","has coordinates","296419","2024-12-06","16:52:55",""
"1573043","9.0906","0.0008","9.1054","0.0005","9.2735","0.0005","62.149","0.006","61.589","0.007","65.472","0.007","578.3","0.08","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 N4 -","- C28 H36 N4 -","- C28 H36 N4 -","1","0.5","","Sun, Yuhua; Kitahara, Riku; Ichino, Tomoya; Ide, Yuki; Senboku, Hisanori; Shimizu, Soji; Tanaka, Takayuki; Inokuma, Yasuhide","Cyclo[4]pyrrole with <i>α</i>-<i>β</i> direct linkages.","Chemical science","2024","15","46","19571","19576","10.1039/d4sc06670g","","x-ray","0.71073","MoKα","","0.0435","0.0407","","","0.1015","0.1035","","","","","","1.039","","","","has coordinates","296410","2024-12-06","16:48:34",""
"1573044","12.813","0.0005","13.3344","0.0005","14.2787","0.0006","90","","91.632","0.004","90","","2438.58","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 N3 O2 -","- C28 H37 N3 O2 -","- C112 H148 N12 O8 -","4","1","","Sun, Yuhua; Kitahara, Riku; Ichino, Tomoya; Ide, Yuki; Senboku, Hisanori; Shimizu, Soji; Tanaka, Takayuki; Inokuma, Yasuhide","Cyclo[4]pyrrole with <i>α</i>-<i>β</i> direct linkages.","Chemical science","2024","15","46","19571","19576","10.1039/d4sc06670g","","x-ray","0.71073","MoKα","","0.0514","0.0433","","","0.1144","0.1184","","","","","","1.062","","","","has coordinates","296410","2024-12-06","16:48:36",""
"1573054","27.4244","0.0004","13.2628","0.0002","16.687","0.0002","90","","121.774","0.001","90","","5159.85","0.14","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","Glucose-BPAT","","- C54 H62.56 Cl2 N6 O15.82 -","- C54 H62.56 Cl2 N6 O15.815 -","- C216 H250.24 Cl8 N24 O63.26 -","4","1","","Zhai, Canjia; Zulueta, Ethan Cross; Mariscal, Alexander; Xu, Chengkai; Cui, Yunpeng; Wang, Xudong; Wu, Huang; Doan, Carson; Wojtas, Lukasz; Zhang, Haixin; Cai, Jianfeng; Ye, Libin; Wang, Kun; Liu, Wenqi","From small changes to big gains: pyridinium-based tetralactam macrocycle for enhanced sugar recognition in water.","Chemical science","2024","15","46","19588","19598","10.1039/d4sc06190j","","x-ray","1.54178","CuKα","","0.0423","0.0404","","","0.1129","0.1147","","","","","","1.05","","","","has coordinates,has disorder","296408","2024-12-06","16:48:05",""
"1573055","9.65444","0.00008","11.52287","0.0001","25.33694","0.00019","90","","90","","90","","2818.65","0.04","172.99","0.1","172.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Br N O7 S -","- C29 H32 Br N O7 S -","- C116 H128 Br4 N4 O28 S4 -","4","1","","Yang, Gongming; Liu, Shangde; Ji, Shujie; Wu, Xingsen; Wang, Jian","Pd/NHC sequentially catalyzed atroposelective synthesis of planar-chiral macrocycles.","Chemical science","2024","15","46","19599","19603","10.1039/d4sc05482b","","x-ray","1.54184","CuKα","","0.0448","0.0447","","","0.1203","0.1204","","","","","","1.082","","","","has coordinates","296407","2024-12-06","16:47:48",""
"1573056","6.7432","0.0002","24.8499","0.0009","31.0273","0.0011","90","","90","","90","","5199.2","0.3","200","","200","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C23 H20 O6 Y -","- C23 H20 O6 Y -","- C184 H160 O48 Y8 -","8","0.5","","Ma, Lu-Lu; Zolotarev, Pavel N.; Zhou, Kang; Zhou, Xin; Liu, Jiaqi; Miao, Jiafeng; Li, Shenfang; Yang, Guo-Ping; Wang, Yao-Yu; Proserpio, Davide M.; Li, Jing; Wang, Hao","Three in one: engineering MOF channels <i>via</i> coordinated water arrays for regulated separation of alkanes and alkenes.","Chemical science","2024","15","46","19556","19563","10.1039/d4sc05286b","","","0.71073","MoKα","","0.0558","0.0392","","","0.0951","0.1032","","","","","","1.045","","","","has coordinates,has disorder","296421","2024-12-06","16:53:18",""
"1573057","6.7374","0.0007","24.87","0.003","30.881","0.004","90","","90","","90","","5174.4","1.1","253","","253","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C23 H20 O6 Y -","- C23 H20 O6 Y -","- C184 H160 O48 Y8 -","8","0.5","","Ma, Lu-Lu; Zolotarev, Pavel N.; Zhou, Kang; Zhou, Xin; Liu, Jiaqi; Miao, Jiafeng; Li, Shenfang; Yang, Guo-Ping; Wang, Yao-Yu; Proserpio, Davide M.; Li, Jing; Wang, Hao","Three in one: engineering MOF channels <i>via</i> coordinated water arrays for regulated separation of alkanes and alkenes.","Chemical science","2024","15","46","19556","19563","10.1039/d4sc05286b","","","1.54178","CuKα","","0.1308","0.0982","","","0.2399","0.2661","","","","","","1.01","","","","has coordinates,has disorder","296421","2024-12-06","16:53:19",""
"1573058","10.8789","0.0015","7.2613","0.0008","10.8143","0.0013","90","","108.529","0.013","90","","809.99","0.18","292.15","","292.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br Ga O7 Te3 -","- Br Ga O7 Te3 -","- Br4 Ga4 O28 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0378","0.0267","","","0.0448","0.0497","","","","","","1.03","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573059","16.0138","0.0004","7.0036","0.0002","8.4023","0.0002","90","","90","","90","","942.35","0.04","297.99","0.1","298.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Br Ga2 O9 Te3 -","- Br Ga2 O9 Te3 -","- Br4 Ga8 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0254","0.0247","","","0.0583","0.0586","","","","","","1.11","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573060","15.7796","0.0005","6.8824","0.0002","8.2042","0.0002","90","","90","","90","","890.99","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Al2 Br O9 Te3 -","- Al2 Br O9 Te3 -","- Al8 Br4 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0217","0.0213","","","0.0517","0.0519","","","","","","1.063","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573061","15.7196","0.0012","6.9503","0.0007","8.354","0.0008","90","","90","","90","","912.72","0.14","294.15","","294.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cl Ga2 O9 Te3 -","- Cl Ga2 O9 Te3 -","- Cl4 Ga8 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0281","0.0273","","","0.0654","0.0658","","","","","","1.197","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573062","15.5617","0.0014","6.8243","0.0007","8.1594","0.0008","90","","90","","90","","866.51","0.15","293.08","0.1","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Al2 Cl O9 Te3 -","- Al2 Cl O9 Te3 -","- Al8 Cl4 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0325","0.0293","","","0.092","0.0954","","","","","","0.97","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573063","15.8664","0.0014","6.9672","0.0006","8.3796","0.0007","90","","90","","90","","926.32","0.14","292.15","","292.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- Br0.5 Cl0.5 Ga2 O9 Te3 -","- Br0.5 Cl0.5 Ga2 O9 Te3 -","- Br2 Cl2 Ga8 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0282","0.0273","","","0.0617","0.0627","","","","","","1.0342","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573064","9.7354","0.0002","15.3138","0.0002","9.9359","0.0002","90","","105.393","0.002","90","","1428.17","0.05","100.01","0.15","100.01","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh","Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.","Chemical science","2024","15","47","19851","19857","10.1039/d4sc04361h","","x-ray","1.54184","CuKα","","0.0408","0.0376","","","0.0999","0.1028","","","","","","1.057","","","","has coordinates","296342","2024-12-06","15:50:54",""
"1573065","13.1948","0.0003","4.7605","0.0001","14.5444","0.0004","90","","102.504","0.003","90","","891.92","0.04","99.98","0.11","99.98","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 I O5 -","- C18 H21 I O5 -","- C36 H42 I2 O10 -","2","1","","Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh","Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.","Chemical science","2024","15","47","19851","19857","10.1039/d4sc04361h","","x-ray","1.54184","CuKα","","0.0323","0.0309","","","0.0764","0.0774","","","","","","1.079","","","","has coordinates","296342","2024-12-06","15:50:55",""
"1573066","11.5497","0.0002","13.3748","0.0003","19.9348","0.0003","90","","101.134","0.002","90","","3021.47","0.1","100","0.16","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 O6 -","- C36 H40 N2 O6 -","- C144 H160 N8 O24 -","4","1","","Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh","Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.","Chemical science","2024","15","47","19851","19857","10.1039/d4sc04361h","","","1.54184","CuKα","","0.0662","0.0535","","","0.1481","0.1595","","","","","","1.046","","","","has coordinates","296342","2024-12-06","15:50:55",""
"1573067","13.88904","0.00006","26.07802","0.00012","20.16258","0.00009","90","","92.9187","0.0004","90","","7293.39","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 B N4 O2 Zn -","- C36 H51 B N4 O2 Zn -","- C288 H408 B8 N32 O16 Zn8 -","8","2","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.044","0.0386","","","0.1089","0.1124","","","","","","1.079","","","","has coordinates","296411","2024-12-06","16:49:22",""
"1573068","8.6093","0.0001","29.1368","0.0003","14.2475","0.0002","90","","91.376","0.001","90","","3572.92","0.07","149.98","0.16","149.98","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 I N4 Zn -","- C30 H39 I N4 Zn -","- C120 H156 I4 N16 Zn4 -","4","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0286","0.025","","","0.0606","0.0622","","","","","","1.039","","","","has coordinates","296411","2024-12-06","16:49:23",""
"1573069","16.1404","0.0002","15.1592","0.0001","19.0592","0.0002","90","","101.428","0.001","90","","4570.87","0.08","149.98","0.11","149.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H65 B N4 O Zn -","- C49 H65 B N4 O Zn -","- C196 H260 B4 N16 O4 Zn4 -","4","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0392","0.0319","","","0.0863","0.0921","","","","","","1.033","","","","has coordinates,has disorder","296411","2024-12-06","16:49:23",""
"1573070","21.7767","0.0002","10.9167","0.0001","36.1028","0.0004","90","","90","","90","","8582.71","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H58 N4 Zn2 -","- C46 H58 N4 Zn2 -","- C368 H464 N32 Zn16 -","8","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0918","0.0803","","","0.1783","0.1829","","","","","","1.162","","","","has coordinates","296411","2024-12-06","16:49:23",""
"1573071","14.94854","0.00006","11.8092","0.00005","16.28848","0.00006","90","","91.313","0.0004","90","","2874.66","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 B2 N4 O6 Zn2 -","- C58 H82 B2 N4 O6 Zn2 -","- C116 H164 B4 N8 O12 Zn4 -","2","0.5","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.0858","0.0864","","","","","","1.095","","","","has coordinates,has disorder","296411","2024-12-06","16:49:23",""
"1573073","43.754","0.011","9.85","0.003","17.372","0.005","90","","95.708","0.016","90","","7450","4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H55 Br N O P -","- C43 H55 Br N O P -","- C344 H440 Br8 N8 O8 P8 -","8","1","","Qu, Hao-Ting; Partanen, Iida; Chang, Kai-Hsin; Lin, Yan-Ding; Koshevoy, Igor O.; Belyaev, Andrey; Chou, Pi-Tai","Insights into the photoinduced anion translocation of donor-π-acceptor<sup>+</sup> (ion)<sup>-</sup> molecules.","Chemical science","2024","15","47","20045","20055","10.1039/d4sc04738a","","","0.71073","MoKα","","0.0867","0.045","","","0.0847","0.0967","","","","","","0.983","","","","has coordinates","296443","2024-12-06","17:18:49",""
"1573074","7.7696","0.0004","15.7256","0.0008","19.9214","0.001","97.434","0.002","92.683","0.002","90.008","0.002","2410.9","0.2","170","","170","","","","","","","","","5","P 1","P 1","1","","8","","- C19 H14 N4 O2 S4 -","- C19 H14 N4 O2 S4 -","- C76 H56 N16 O8 S16 -","4","4","","Zhang, Guanlun; Wu, Xu; Mao, Shiyu; Li, Mengqi; Hu, Honglong; Shi, Bing-Feng; Zhu, Wei-Hong","Pd(ii)-catalyzed enantioselective C-H olefination and photoregulation of sterically hindered diarylethenes.","Chemical science","2024","15","47","20013","20021","10.1039/d4sc05375c","","","1.34139","GaKα","","0.0936","0.0665","","","0.1691","0.189","","","","","","1.037","","","","has coordinates","296343","2024-12-06","15:51:21",""
"1573075","9.8157","0.0002","11.2682","0.0003","14.0489","0.0004","102.996","0.001","101.657","0.001","114.452","0.001","1299.74","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","(4-benzoyl-11-bromo-3-phenyl-3,4-dihydro-2H-1,3-methanopyridazino[6,1-a]isoquinolin-1(11bH)-yl)(1-methyl-1H-imidazol-2-yl)methanone","","- C31 H25 Br N4 O2 -","- C31 H26 Br N4 O2 -","- C62 H52 Br2 N8 O4 -","2","1","","Yang, Xue-Chun; Wu, Feng; Wu, Wen-Biao; Zhang, Xu; Feng, Jian-Jun","Enantioselective dearomative formal (3+3) cycloadditions of bicyclobutanes with aromatic azomethine imines: access to fused 2,3-diazabicyclo[3.1.1]heptanes.","Chemical science","2024","15","46","19488","19495","10.1039/d4sc06334a","","","1.54178","CuKα","","0.0252","0.0242","","","0.0623","0.0626","","","","","","1.053","","","","has coordinates","296422","2024-12-06","16:53:35",""
"1573076","10.8729","0.0002","12.8772","0.0001","10.9786","0.0002","90","","112.161","0.002","90","","1423.59","0.04","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-(9-bromo-1-(1-methyl-1H-imidazole-2-carbonyl)-3-phenyl-1,2,3,11b-tetrahydro-4H-1,3-methanopyridazino[6,1-a]isoquinolin-4-yl)(4-(trifluoromethyl)phenyl)methanone","","- C32 H24 Br F3 N4 O2 -","- C32 H24 Br F3 N4 O2 -","- C64 H48 Br2 F6 N8 O4 -","2","1","","Yang, Xue-Chun; Wu, Feng; Wu, Wen-Biao; Zhang, Xu; Feng, Jian-Jun","Enantioselective dearomative formal (3+3) cycloadditions of bicyclobutanes with aromatic azomethine imines: access to fused 2,3-diazabicyclo[3.1.1]heptanes.","Chemical science","2024","15","46","19488","19495","10.1039/d4sc06334a","","x-ray","1.54184","CuKα","","0.0334","0.0322","","","0.0822","0.0842","","","","","","1.088","","","","has coordinates","296422","2024-12-06","16:53:37",""
"1573084","27.9576","0.0001","27.9576","0.0001","15.5123","0.0001","90","","90","","90","","12124.8","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C57 H78 N4 O P2 -","- C57 H78 N4 O P2 -","- C456 H624 N32 O8 P16 -","8","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0342","0.033","","","0.0896","0.0904","","","","","","1.068","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573085","15.1737","0.0002","20.6058","0.0002","20.9842","0.0003","90","","90","","90","","6561.05","0.14","155","8","155","8","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H99 N5 O P2 Si2 -","- C64 H99 N5 O P2 Si2 -","- C256 H396 N20 O4 P8 Si8 -","4","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.046","0.0436","","","0.114","0.1172","","","","","","1.046","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573086","10.51","0.0002","18.2431","0.0003","30.1703","0.0007","90","","90","","90","","5784.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H82 N4 O P2 -","- C63 H82 N4 O P2 -","- C252 H328 N16 O4 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0893","0.0708","","","0.1789","0.1909","","","","","","1.049","","","","has coordinates,has disorder","296347","2024-12-06","16:15:01",""
"1573087","13.0834","0.0002","13.3184","0.0002","20.9406","0.0003","79.701","0.001","86.771","0.001","80.675","0.001","3541.26","0.09","149.9","0.6","149.9","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C73 H93 F6 N4 O3 P2 S -","- C73 H93 F6 N4 O3 P2 S -","- C146 H186 F12 N8 O6 P4 S2 -","2","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0652","0.0587","","","0.1671","0.1743","","","","","","1.038","","","","has coordinates,has disorder","296347","2024-12-06","16:15:01",""
"1573088","18.5772","0.0002","16.1173","0.0002","21.8954","0.0002","90","","99.61","0.001","90","","6463.8","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H99 N5 O2 P2 Si -","- C66 H99 N5 O2 P2 Si -","- C264 H396 N20 O8 P8 Si4 -","4","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0346","0.0319","","","0.0794","0.0809","","","","","","1.038","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573089","12.0896","0.0006","16.0159","0.0008","21.5597","0.0011","98.712","0.002","103.862","0.002","98.212","0.002","3935.8","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C69 H100 F K N5 O P2 Si2 -","- C69 H100 F K N5 O P2 Si2 -","- C138 H200 F2 K2 N10 O2 P4 Si4 -","2","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","","1.34138","GaKα","","0.0636","0.0459","","","0.1243","0.136","","","","","","1.079","","","","has coordinates,has disorder","296347","2024-12-06","16:15:01",""
"1573090","27.6579","0.0004","15.0908","0.0002","57.5737","0.0009","90","","97.571","0.002","90","","23820.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C114 H156 N8 O2 P4 -","- C114 H156 N8 O2 P4 -","- C912 H1248 N64 O16 P32 -","8","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0652","0.0529","","","0.1312","0.1423","","","","","","1.078","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573158","16.918","0.0003","18.7743","0.0003","18.7972","0.0003","119.575","0.002","100.097","0.001","91.79","0.001","5063.55","0.18","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C196 H164 Cs2 N2 O92 Ti14 -","- C184 H140 Cs2 N2 O88 Ti14 -","- C184 H140 Cs2 N2 O88 Ti14 -","1","0.5","","Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Chu, Menghui; Gao, Fangfang; Chen, Guanjie; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Guest modulating the photoactivity of a titanium-oxide cage.","Chemical science","2024","15","47","19952","19961","10.1039/d4sc04983g","","","1.54184","CuKα","","0.0583","0.0479","","","0.1242","0.1304","","","","","","1.041","","","","has coordinates","296345","2024-12-06","15:58:04",""
"1573159","16.8649","0.0004","18.7159","0.0004","18.7422","0.0005","119.555","0.002","100.296","0.002","91.512","0.002","5017.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C196 H172 N4 O92 Ti14 -","- C178 H136 N4 O86 Ti14 -","- C178 H136 N4 O86 Ti14 -","1","0.5","","Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Chu, Menghui; Gao, Fangfang; Chen, Guanjie; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Guest modulating the photoactivity of a titanium-oxide cage.","Chemical science","2024","15","47","19952","19961","10.1039/d4sc04983g","","","1.54184","CuKα","","0.0762","0.0607","","","0.1611","0.1688","","","","","","1.088","","","","has coordinates","296345","2024-12-06","15:58:04",""
"1573213","3.9971","0.0001","7.0195","0.0002","40.9871","0.001","90","","90","","90","","1150","0.05","298","2","297.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Br N O2 S -","- C10 H8 Br N O2 S -","- C40 H32 Br4 N4 O8 S4 -","4","1","","Chen, Ci; Zhang, Qiaoya; Huang, Zhiwei; Ouyang, Wensen; Gao, Yang; Luo, Jiye; Liu, Yuan; Huo, Yanping; Chen, Qian; Li, Xianwei","Ru(ii)-catalyzed regioselective oxidative Heck reaction with internal olefins that tolerated strongly coordinating heterocycles.","Chemical science","2024","15","47","20064","20072","10.1039/d4sc07036d","","","0.71073","MoKα","","0.036","0.0317","","","0.0786","0.0805","","","","","","1.031","","","","has coordinates","296344","2024-12-06","15:52:08",""