# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-28T00:33:39+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the American Chemical Society') AND volume = 138 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
"4124756","8.5387","0.0004","30.5348","0.0014","15.3867","0.0007","90","","101.251","0.0019","90","","3934.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H56 Cu N6 O7 -","- C39 H56 Cu N6 O7 -","- C156 H224 Cu4 N24 O28 -","4","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0411","0.04","","","0.1034","0.1045","","","","","","1.042","","","","has coordinates","175787","2020-10-21","18:00:00",""
"4124757","10.0248","0.0007","14.0793","0.0009","26.1018","0.0017","90","","99.111","0.003","90","","3637.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Cu N7 O6 -","- C35 H41 Cu N7 O6 -","- C140 H164 Cu4 N28 O24 -","4","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0763","0.0698","","","0.1758","0.181","","","","","","1.046","","","","has coordinates,has disorder","175787","2020-10-21","18:00:00",""
"4124758","10.2606","0.0002","13.1441","0.0003","26.477","0.0006","90","","97.3942","0.0009","90","","3541.16","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Cu N5 O9 -","- C35 H47 Cu N5 O9 -","- C140 H188 Cu4 N20 O36 -","4","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0444","0.0416","","","0.1062","0.1083","","","","","","1.037","","","","has coordinates","175787","2020-10-21","18:00:00",""
"4124759","12.8711","0.0002","16.7852","0.0003","17.7561","0.0003","92.71","0.001","108.615","0.001","90.375","0.001","3630.4","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H94 Cu2 N10 O15 -","- C74 H94 Cu2 N10 O15 -","- C148 H188 Cu4 N20 O30 -","2","1","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0398","0.0349","","","0.0886","0.0919","","","","","","1.023","","","","has coordinates,has disorder","175787","2020-10-21","18:00:00",""
"4124760","28.2007","0.0011","10.4931","0.0004","24.5728","0.0009","90","","97.5196","0.0012","90","","7208.9","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H108 Cu2 N6 Na2 O11 -","- C67 H108 Cu2 N6 Na2 O11 -","- C268 H432 Cu8 N24 Na8 O44 -","4","0.5","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","1.54178","CuKα","","0.0372","0.0325","","","0.0856","0.0889","","","","","","1.052","","","","has coordinates,has disorder","175787","2020-10-21","18:00:00",""
"4124761","10.565","0.0005","13.5339","0.0006","14.0295","0.0006","94.545","0.001","106.021","0.001","102.985","0.001","1857.31","0.15","173","2","173","2","","","","","","","","6","P 1","P 1","1","14105f","","","- C34 H54 Cu N3 Na O5 -","- C34 H54 Cu N3 Na O5 -","- C68 H108 Cu2 N6 Na2 O10 -","2","2","","Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.","Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.","Journal of the American Chemical Society","2016","138","1","356","368","10.1021/jacs.5b10985","","","0.71073","MoKα","","0.0525","0.0469","","","0.1262","0.1301","","","","","","1.023","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4124762","13.1917","0.0007","16.322","0.0008","19.9519","0.0012","90","","95.67","0.002","90","","4274.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr65","","","- C42 H68 N7 Nb -","- C42 H68 N7 Nb -","- C168 H272 N28 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0504","0.039","","","0.0963","0.1024","","","","","","1.05","","","","has coordinates,has disorder","175788","2020-10-21","18:00:00",""
"4124763","32.2869","0.0018","13.8363","0.0008","24.0429","0.0014","90","","110.578","0.003","90","","10055.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bmkxr64","","","- C56 H72 N5 Nb -","- C56 H72 N5 Nb -","- C448 H576 N40 Nb8 -","8","2","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0741","0.059","","","0.143","0.1515","","","","","","1.024","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124764","13.0963","0.0005","20.4362","0.0007","21.6295","0.0007","90","","101.979","0.002","90","","5662.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr56","","","- C58 H95 N8 Nb -","- C58 H95 N8 Nb -","- C232 H380 N32 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0823","0.0571","","","0.1407","0.1572","","","","","","1.046","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124765","18.8907","0.001","11.1261","0.0006","21.1544","0.0011","90","","100.794","0.002","90","","4367.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bmkxr36","","","- C45 H66 N5 Nb O -","- C45 H66 N5 Nb O -","- C180 H264 N20 Nb4 O4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0299","0.0257","","","0.0622","0.0644","","","","","","1.068","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124766","11.1908","0.0004","17.8757","0.0007","24.6374","0.0009","90","","90.4053","0.0008","90","","4928.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr19","","","- C49.75 H76.75 N5 Nb -","- C49.735 H76.715 N5 Nb -","- C198.94 H306.86 N20 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0454","0.0357","","","0.073","0.0768","","","","","","1.094","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124767","12.2648","0.0005","20.8147","0.0009","17.2712","0.0007","90","","100.263","0.002","90","","4338.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr29","","","- C46 H68 N5 Nb -","- C46 H68 N5 Nb -","- C184 H272 N20 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.03","0.0258","","","0.0594","0.0623","","","","","","1.021","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124768","19.7899","0.0015","15.6263","0.0011","17.021","0.0014","90","","103.833","0.004","90","","5111","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bmkxr60","","","- C54 H80 N5 Nb -","- C54 H80 N5 Nb -","- C216 H320 N20 Nb4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0844","0.0481","","","0.1011","0.1189","","","","","","1.019","","","","has coordinates,has disorder","175788","2020-10-21","18:00:00",""
"4124769","11.0636","0.0005","13.0724","0.0006","13.4439","0.0006","92.209","0.002","102.071","0.002","96.205","0.002","1886.49","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bmkxr30","","","- C36 H59 N4 Nb Si -","- C36 H59 N4 Nb Si -","- C72 H118 N8 Nb2 Si2 -","2","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.","Journal of the American Chemical Society","2016","138","1","52","55","10.1021/jacs.5b11287","","","0.71073","MoKα","","0.0229","0.0211","","","0.0525","0.0535","","","","","","1.076","","","","has coordinates","175788","2020-10-21","18:00:00",""
"4124770","25.273","0.005","15.103","0.005","19.695","0.005","90","0.005","95.233","0.005","90","0.005","7486","3","121","2","121","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","VSc2N@Ih(7)-C80/Ni(OEP)/1.67C6H6/0.33CHCl3","","","- C126.5 H54.5 Cl N4 Ni Sc2 V -","- C125.825 H53.7048 Cl1.3764 N5 Ni Sc2 V -","- C503.299 H214.819 Cl5.5056 N20 Ni4 Sc8 V4 -","4","0.5","","Wei, Tao; Wang, Song; Lu, Xing; Tan, Yuanzhi; Huang, Jing; Liu, Fupin; Li, Qunxiang; Xie, Suyuan; Yang, Shangfeng","Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1, 2).","Journal of the American Chemical Society","2016","138","1","207","214","10.1021/jacs.5b10115","","","0.71073","MoKα","","0.1395","0.1194","","","0.2844","0.298","","","","","","1.444","","","","has coordinates,has disorder","175789","2020-10-21","18:00:00",""
"4124771","25.2821","0.0015","15.1254","0.001","19.7824","0.0016","90","","94.822","0.006","90","","7538.1","0.9","100","2","100.01","0.02","","","","","","","","6","C 1 2/m 1","-C 2y","12","ScV2N@Ih(7)-C80/Ni(OEP)/2benzene;","","","- C128.5 H56 N5 Ni Sc V2 -","- C128.552 H56 N5 Ni Sc V2 -","- C514.208 H224 N20 Ni4 Sc4 V8 -","4","0.5","","Wei, Tao; Wang, Song; Lu, Xing; Tan, Yuanzhi; Huang, Jing; Liu, Fupin; Li, Qunxiang; Xie, Suyuan; Yang, Shangfeng","Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1, 2).","Journal of the American Chemical Society","2016","138","1","207","214","10.1021/jacs.5b10115","","","1.54184","CuKα","","0.1369","0.1234","","","0.3252","0.3402","","","","","","1.339","","","","has coordinates,has disorder","175789","2020-10-21","18:00:00",""
"4124839","25.92","0.005","28.56","0.006","40.27","0.008","90","","90","","90","","29811","10","250","2","250","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C64 H34 O20 Zn4 -","- C64 H34 O20 Zn4 -","- C512 H272 O160 Zn32 -","8","0.25","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George; Adil, Karim; Belmabkhout, Youssef; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage.","Journal of the American Chemical Society","2016","138","5","1568","1574","10.1021/jacs.5b11079","","","0.91841","","","0.1424","0.1413","","","0.4933","0.4954","","","","","","2.653","","","","has coordinates","177407","2020-10-21","18:00:00",""
"4124840","25.616","0.002","28.157","0.003","40.549","0.004","90","","90","","90","","29247","5","250","2","250","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C64 H34 Cu4 O20 -","- C64 H34 Cu4 O20 -","- C512 H272 Cu32 O160 -","8","0.25","","Spanopoulos, Ioannis; Tsangarakis, Constantinos; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George; Adil, Karim; Belmabkhout, Youssef; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage.","Journal of the American Chemical Society","2016","138","5","1568","1574","10.1021/jacs.5b11079","","","1.0402","","","0.1519","0.1463","","","0.4529","0.4608","","","","","","2.011","","","","has coordinates","177407","2020-10-21","18:00:00",""
"4124841","16.3143","0.0003","19.5553","0.0004","13.7512","0.0002","90","","93.026","0.001","90","","4380.94","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H55 N3 O -","- C52 H55 N3 O -","- C208 H220 N12 O4 -","4","1","","Rajamalli, Pachaiyappan; Senthilkumar, Natarajan; Gandeepan, Parthasarathy; Huang, Pei-Yun; Huang, Min-Jie; Ren-Wu, Chen-Zheng; Yang, Chi-Yu; Chiu, Ming-Jui; Chu, Li-Kang; Lin, Hao-Wu; Cheng, Chien-Hong","A New Molecular Design Based on Thermally Activated Delayed Fluorescence for Highly Efficient Organic Light Emitting Diodes.","Journal of the American Chemical Society","2016","138","2","628","634","10.1021/jacs.5b10950","","","1.54178","CuKα","","0.0703","0.0529","","","0.1454","0.1605","","","","","","1.027","","","","has coordinates,has disorder","175782","2020-10-21","18:00:00",""
"4124871","19.913","0.006","10.816","0.003","17.349","0.005","90","","96.843","0.004","90","","3710","1.9","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 N2 O -","- C49 H42 N2 O -","- C196 H168 N8 O4 -","4","1","","Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro","Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.","Journal of the American Chemical Society","2016","138","3","906","913","10.1021/jacs.5b10924","","","0.71073","MoKα","","0.1458","0.0584","","","0.1058","0.137","","","","","","0.934","","","","has coordinates,has disorder","175784","2020-10-21","18:00:00",""
"4124872","11.619","0.002","18.416","0.003","19.597","0.004","77.068","0.002","81.666","0.002","89.163","0.002","4043.1","1.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H45 N3 O -","- C51 H45 N3 O -","- C204 H180 N12 O4 -","4","2","","Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro","Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.","Journal of the American Chemical Society","2016","138","3","906","913","10.1021/jacs.5b10924","","","0.71073","MoKα","","0.0622","0.0425","","","0.1018","0.1104","","","","","","0.984","","","","has coordinates","175784","2020-10-21","18:00:00",""
"4124873","10.089","0.009","18.21","0.015","22.72","0.02","90","","99.557","0.014","90","","4116","6","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H48 N2 O3 -","- C53 H48 N2 O3 -","- C212 H192 N8 O12 -","4","1","","Yamaguchi, Tetsuo; Kobayashi, Yoichi; Abe, Jiro","Fast Negative Photochromism of 1,1'-Binaphthyl-Bridged Phenoxyl-Imidazolyl Radical Complex.","Journal of the American Chemical Society","2016","138","3","906","913","10.1021/jacs.5b10924","","","0.71073","MoKα","","0.14","0.0658","","","0.1585","0.1937","","","","","","0.986","","","","has coordinates","175784","2020-10-21","18:00:00",""
"4124874","10.2781","0.0004","12.6985","0.0004","15.9497","0.0005","90","","95.976","0.002","90","","2070.39","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H27 B Br2 O5 -","- C41 H27 B Br2 O5 -","- C82 H54 B2 Br4 O10 -","2","1","","Qi, Chao; Xiong, Yuan; Eschenbrenner-Lux, Vincent; Cong, Huan; Porco, Jr, John A","Asymmetric Syntheses of the Flavonoid Diels-Alder Natural Products Sanggenons C and O.","Journal of the American Chemical Society","2016","138","3","798","801","10.1021/jacs.5b12778","","","1.54178","CuKα","","0.0335","0.0328","","","0.0841","0.0845","","","","","","1.036","","","","has coordinates","175785","2020-10-21","18:00:00",""
"4124875","11.8799","0.001","12.0496","0.0012","14.8783","0.0013","90","","90","","90","","2129.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Br O2 -","- C26 H23 Br O2 -","- C104 H92 Br4 O8 -","4","1","","Qi, Chao; Xiong, Yuan; Eschenbrenner-Lux, Vincent; Cong, Huan; Porco, Jr, John A","Asymmetric Syntheses of the Flavonoid Diels-Alder Natural Products Sanggenons C and O.","Journal of the American Chemical Society","2016","138","3","798","801","10.1021/jacs.5b12778","","","1.54178","CuKα","","0.0272","0.0245","","","0.0552","0.0569","","","","","","1.082","","","","has coordinates","175785","2020-10-21","18:00:00",""
"4124876","35.95","0.006","35.95","","13.522","0.002","90","","90","","120","","15135","3","190","2","190","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C132 H210 Cl6 Mn19 N66 O54 -","- C132 H210 Cl6 Mn19 N66 O54 -","- C396 H630 Cl18 Mn57 N198 O162 -","3","0.166667","","Deng, Yong-Kai; Su, Hai-Feng; Xu, Jia-Heng; Wang, Wen-Guang; Kurmoo, Mohamedally; Lin, Shui-Chao; Tan, Yuan-Zhi; Jia, Jiong; Sun, Di; Zheng, Lan-Sun","Hierarchical Assembly of a {Mn(II)15Mn(III)4} Brucite Disc: Step-by-Step Formation and Ferrimagnetism.","Journal of the American Chemical Society","2016","138","4","1328","1334","10.1021/jacs.5b11736","","","0.71073","MoKα","","0.2127","0.0757","","","0.1656","0.2186","","","","","","0.984","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4124877","17.156","0.0006","26.5424","0.0009","21.8954","0.0007","90","","96.76","0.003","90","","9901","0.6","240","2","240","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Au28(SC6H11)20","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C240 H440 Au56 S40 -","2","0.5","","Chen, Yuxiang; Liu, Chong; Tang, Qing; Zeng, Chenjie; Higaki, Tatsuya; Das, Anindita; Jiang, De-En; Rosi, Nathaniel L.; Jin, Rongchao","Isomerism in Au28(SR)20 Nanocluster and Stable Structures.","Journal of the American Chemical Society","2016","138","5","1482","1485","10.1021/jacs.5b12094","","","1.54178","CuKα","","0.1986","0.1081","","","0.2596","0.3335","","","","","","1.007","","","","has coordinates","177406","2020-10-21","18:00:00",""
"4124878","21.2586","0.0005","8.5005","0.0002","20.4725","0.0005","90","","117.999","0.001","90","","3266.55","0.14","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F6 O Si -","- C15 H18 F6 O Si -","- C120 H144 F48 O8 Si8 -","8","2","","Martinez-Solorio, Dionicio; Melillo, Bruno; Sanchez, Luis; Liang, Yong; Lam, Erwin; Houk, K. N.; Smith, 3rd, Amos B","Design, Synthesis, and Validation of an Effective, Reusable Silicon-Based Transfer Agent for Room-Temperature Pd-Catalyzed Cross-Coupling Reactions of Aryl and Heteroaryl Chlorides with Readily Available Aryl Lithium Reagents.","Journal of the American Chemical Society","2016","138","6","1836","1839","10.1021/jacs.5b13260","","","0.71073","MoKα","","0.038","0.0312","","","0.08","0.0843","","","","","","1.077","","","","has coordinates","177404","2020-10-21","18:00:00",""
"4124879","90.538","0.007","27.809","0.002","48.343","0.003","90","","119.129","0.003","90","","106323","13","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C399 H382.5 Cd8 F48 N63.5 O72 S16 -","- C395.1 H373.5 Cd8 F36.3 N63.5 O60.3 S12.1 -","- C3160.8 H2988 Cd64 F290.4 N508 O482.4 S96.8 -","8","1","","Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R.","Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies.","Journal of the American Chemical Society","2016","138","6","1812","1815","10.1021/jacs.5b12955","","","1.54178","CuKα","","0.146","0.1192","","","0.3429","0.3588","","","","","","1.372","","","","has coordinates,has disorder","177405","2020-10-21","18:00:00",""
"4124880","27.046","0.0005","27.046","0.0005","37.5383","0.0009","90","","90","","120","","23780","0.8","180","2","180","2","","","","","","","","7","P 63","P 6c","173","","","","- C190 H177 F24 N27 O36 S8 Zn4 -","- C189 H177 F20.9998 N27 O32.9999 S6.99995 Zn4 -","- C756 H707.999 F83.9994 N108 O131.999 S27.9998 Zn16 -","4","0.666667","","Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R.","Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies.","Journal of the American Chemical Society","2016","138","6","1812","1815","10.1021/jacs.5b12955","","","1.54178","CuKα","","0.085","0.0617","","","0.1598","0.1711","","","","","","1.039","","","","has coordinates,has disorder","177405","2020-10-21","18:00:00",""
"4124881","15.285","0.005","17.908","0.005","8.083","0.002","90","","90","","90","","2212.5","1.1","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H27 F3 N O P -","- C23 H27 F3 N O P -","- C92 H108 F12 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0566","0.0507","","","0.1439","0.1565","","","","","","1.097","","","","has coordinates","175680","2020-10-21","18:00:00",""
"4124882","17.5398","0.0013","14.2278","0.001","12.7212","0.001","90","","93.043","0.002","90","","3170.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N O P -","- C16 H24 N O P -","- C128 H192 N8 O8 P8 -","8","2","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.1074","0.092","","","0.1987","0.2053","","","","","","1.107","","","","has coordinates,has disorder","175681","2020-10-21","18:00:00",""
"4124883","12.662","0.008","16.276","0.011","19.793","0.013","90","","101.671","0.011","90","","3995","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N O P -","- C22 H28 N O P -","- C176 H224 N8 O8 P8 -","8","2","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.1292","0.0879","","","0.1851","0.2103","","","","","","1.111","","","","has coordinates","175682","2020-10-21","18:00:00",""
"4124884","7.771","0.004","19.1","0.01","14.003","0.007","90","","102.865","0.009","90","","2026.2","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 F N O P -","- C22 H27 F N O P -","- C88 H108 F4 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0743","0.0571","","","0.1531","0.168","","","","","","1.052","","","","has coordinates","175683","2020-10-21","18:00:00",""
"4124885","13.9522","0.0013","7.8417","0.0007","11.3721","0.001","90","","110.787","0.003","90","","1163.22","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N O P -","- C12 H16 N O P -","- C48 H64 N4 O4 P4 -","4","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0634","0.0601","","","0.1905","0.1943","","","","","","0.829","","","","has coordinates","175684","2020-10-21","18:00:00",""
"4124886","8.3302","0.0013","9.3214","0.0014","16.577","0.003","76.866","0.002","76.336","0.003","67.324","0.002","1140.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N O3 P -","- C24 H30 N O3 P -","- C48 H60 N2 O6 P2 -","2","1","","Yang, Youqing; Qiu, Xiaodong; Zhao, Yue; Mu, Yucheng; Shi, Zhuangzhi","Palladium-Catalyzed C-H Arylation of Indoles at the C7 Position.","Journal of the American Chemical Society","2016","138","2","495","498","10.1021/jacs.5b11569","","","0.71073","MoKα","","0.0732","0.0581","","","0.1733","0.1853","","","","","","1.096","","","","has coordinates","175685","2020-10-21","18:00:00",""
"4124887","21.8742","0.0004","23.4736","0.0005","9.0278","0.0002","90","","90","","90","","4635.47","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H65 N9 O9 Si -","- C35 H65 N9 O9 Si -","- C140 H260 N36 O36 Si4 -","4","1","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.0424","0.0399","","","0.1082","0.1103","","","","","","1.024","","","","has coordinates,has disorder","175686","2020-10-21","18:00:00",""
"4124888","9.3622","0.0003","16.3312","0.0004","17.9089","0.0006","88.577","0.002","75.902","0.002","73.812","0.002","2547.7","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H71 N11 O9 Si -","- C39 H71 N11 O9 Si -","- C78 H142 N22 O18 Si2 -","2","1","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.1002","0.0801","","","0.2198","0.2372","","","","","","1.043","","","","has coordinates","175686","2020-10-21","18:00:00",""
"4124889","39.3342","0.0012","18.0326","0.0005","73.883","0.002","90","","96.068","0.002","90","","52111","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H89 N13 O12 Si -","- C49 H89 N13 O12 Si -","- C1568 H2848 N416 O384 Si32 -","32","8","","Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J.","Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers.","Journal of the American Chemical Society","2016","138","2","688","695","10.1021/jacs.5b12057","","","1.54178","CuKα","","0.0963","0.0801","","","0.22","0.2401","","","","","","1.032","","","","has coordinates,has disorder","175686","2020-10-21","18:00:00",""
"4124890","8.495","0.005","9.151","0.005","13.099","0.007","94.05","0.006","90.403","0.006","90.57","0.006","1015.7","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H3 F20 I O2 -","- C16 H3 F20 I O2 -","- C32 H6 F40 I2 O4 -","2","1","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0858","0.0728","","","0.2446","0.2954","","","","","","1.236","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124891","11.9982","0.001","15.44","0.0013","15.5724","0.0014","90","","90","","90","","2884.8","0.4","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H23 F20 N O2 S -","- C24 H23 F20 N O2 S -","- C96 H92 F80 N4 O8 S4 -","4","0.5","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.0307","0.0291","","","0.0738","0.0751","","","","","","1.06","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124892","11.4151","0.0011","14.6893","0.0014","16.2421","0.0016","70.277","0.001","78.78","0.001","73.648","0.001","2445","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 F20 Li O6 S -","- C16 H3 F20 Li O6 S -","- C64 H12 F80 Li4 O24 S4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0508","0.0425","","","0.1151","0.1228","","","","","","1.024","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124893","11.6841","0.0008","15.377","0.001","17.5469","0.0012","90","","109.009","0.002","90","","2980.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 F20 N O2 Se -","- C24 H23 F20 N O2 Se -","- C96 H92 F80 N4 O8 Se4 -","4","1","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.063","0.043","","","0.0963","0.1062","","","","","","1.034","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124894","11.526","0.002","16.241","0.003","18.58","0.003","88.205","0.002","80.618","0.002","70.946","0.002","3242.6","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 F20 Li O6 Se -","- C24 H19 F20 Li O6 Se -","- C96 H76 F80 Li4 O24 Se4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0584","0.0498","","","0.1364","0.1422","","","","","","1.02","","","","has coordinates,has disorder","175687","2020-10-21","18:00:00",""
"4124895","11.8746","0.0008","11.499","0.0008","15.7717","0.0011","90","","104.091","0.002","90","","2088.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H3 F20 O2 S -","- C16 H3 F20 O2 S -","- C64 H12 F80 O8 S4 -","4","1","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.087","0.0699","","","0.1755","0.1883","","","","","","1.041","","","","has coordinates,has disorder","175687","2020-10-21","18:00:00",""
"4124896","11.7263","0.001","11.8526","0.001","15.8755","0.0013","90","","105.809","0.001","90","","2123","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H3 F20 O2 Se -","- C16 H3 F20 O2 Se -","- C64 H12 F80 O8 Se4 -","4","2","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71073","MoKα","","0.0667","0.0617","","","0.1723","0.1776","","","","","","1.066","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4124897","8.8629","0.0006","9.8568","0.0007","11.5901","0.0008","64.8401","0.0009","72.8123","0.0009","89.6362","0.001","867.15","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Organic","Organic","","- C21 H17 Cl N2 O2 -","- C21 H17 Cl N2 O2 -","- C42 H34 Cl2 N4 O4 -","2","1","","Qiu, Huang; Srinivas, Harathi D.; Zavalij, Peter Y.; Doyle, Michael P.","Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester.","Journal of the American Chemical Society","2016","138","6","1808","1811","10.1021/jacs.5b12877","","","0.71073","MoKα","","0.039","0.0347","","","0.071","0.0728","","","","","","1","","","","has coordinates","177403","2020-10-21","18:00:00",""
"4124898","37.08","0.002","5.9219","0.0004","16.7844","0.0011","90","","98.6252","0.001","90","","3643.9","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Br-compound","","- C21 H17 Br N2 O2 -","- C21 H17 Br N2 O2 -","- C168 H136 Br8 N16 O16 -","8","1","","Qiu, Huang; Srinivas, Harathi D.; Zavalij, Peter Y.; Doyle, Michael P.","Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester.","Journal of the American Chemical Society","2016","138","6","1808","1811","10.1021/jacs.5b12877","","","0.71073","MoKα","","0.0469","0.0399","","","0.0945","0.0979","","","","","","1.063","","","","has coordinates,has disorder","177403","2020-10-21","18:00:00",""
"4124899","11.0904","0.0015","8.9712","0.0012","29.184","0.004","90","","99.062","0.003","90","","2867.4","0.7","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br Cl2 N3 O4 -","- C32 H26 Br Cl2 N3 O4 -","- C128 H104 Br4 Cl8 N12 O16 -","4","1","","Qiu, Huang; Srinivas, Harathi D.; Zavalij, Peter Y.; Doyle, Michael P.","Unprecedented Intramolecular [4 + 2]-Cycloaddition between a 1,3-Diene and a Diazo Ester.","Journal of the American Chemical Society","2016","138","6","1808","1811","10.1021/jacs.5b12877","","","0.71075","MoKα","","0.0421","0.0369","","","0.0907","0.0946","","","","","","1.095","","","","has coordinates","177403","2020-10-21","18:00:00",""
"4124900","5.171","0.0002","17.976","0.0006","24.5859","0.0009","90","","90","","90","","2285.36","0.14","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23.5 H27 F6 N O2 -","- C23.5 H27 F6 N O2 -","- C94 H108 F24 N4 O8 -","4","1","","Zuo, Zhiwei; Cong, Huan; Li, Wei; Choi, Junwon; Fu, Gregory C.; MacMillan, David W. C.","Enantioselective Decarboxylative Arylation of α-Amino Acids via the Merger of Photoredox and Nickel Catalysis.","Journal of the American Chemical Society","2016","138","6","1832","1835","10.1021/jacs.5b13211","","","1.54178","CuKα","","0.0528","0.046","","","0.1056","0.1094","","","","","","1.047","","","","has coordinates,has disorder","177402","2020-10-21","18:00:00",""
"4124901","24.958","0.003","8.872","0.0013","16.619","0.002","90","","98.044","0.016","90","","3643.7","0.8","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 B2 Fe N8 O6 -","- C28 H38 B2 Fe N8 O6 -","- C112 H152 B8 Fe4 N32 O24 -","4","0.5","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.71073","MoKα","","0.1048","0.0929","","","0.215","0.2207","","","","","","1.096","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124902","23.5385","0.0004","24.5623","0.0005","29.7285","0.0005","86.548","0.001","83.135","0.001","66.14","0.002","15604.9","0.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C140 H141 B24 F32 Fe8 N68 O52.5 Pd4 -","- C140 H140 B22.5 F26 Fe8 N68 O52.5 Pd4 -","- C280 H280 B45 F52 Fe16 N136 O105 Pd8 -","2","1","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","x-ray","0.6948","synchrotron","","0.1585","0.1308","","","0.3475","0.3727","","","","","","1.037","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124903","40.4082","0.0007","31.9967","0.0004","48.1377","0.001","90","","112.142","0.003","90","","57649","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C352 H480 B32 F32 Fe12 N104 O72 Pd6 -","- C352 H480 B32 F32 Fe12 N104 O72 Pd6 -","- C1408 H1920 B128 F128 Fe48 N416 O288 Pd24 -","4","0.5","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.69561","synchrotron","","0.0928","0.0808","","","0.2266","0.2411","","","","","","1.049","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124904","23.908","0.005","8.0758","0.0016","16.326","0.003","90","","122.21","0.03","90","","2667","1.3","120","2","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 B2 Fe N8 O8 -","- C24 H26 B2 Fe N8 O8 -","- C96 H104 B8 Fe4 N32 O32 -","4","0.5","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.71073","MoKα","","0.0818","0.0523","","","0.1037","0.1177","","","","","","1.163","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124905","28.113","0.001","28.7242","0.0011","29.266","0.0011","96.234","0.003","114.116","0.004","110.958","0.003","19222.6","1.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C244 H244 B12 F48 Fe10 N69 O70.5 S16 -","- C240.6 H244 B12 F37.8 Fe10 N67.3 O63.7 S12.6 -","- C481.2 H488 B24 F75.6 Fe20 N134.6 O127.4 S25.2 -","2","1","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","x-ray","0.6948","synchrotron","","0.1215","0.1097","","","0.2987","0.3078","","","","","","1.139","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124906","6.6568","0.0009","12.4735","0.0019","13.0553","0.0018","61.706","0.003","85.502","0.003","75.77","0.003","924.3","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 B2 Fe N8 O6 -","- C16 H14 B2 Fe N8 O6 -","- C32 H28 B4 Fe2 N16 O12 -","2","1","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.71073","MoKα","","0.0468","0.0371","","","0.0924","0.0978","","","","","","1.025","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124907","28.0944","0.0009","28.0944","0.0009","184.156","0.007","90","","90","","120","","125880","7","135","2","135","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C270 H288 B12 F48 Fe10 N60 O42 Sb8 -","- C270 H288 B12 F34.8 Fe10 N60 O42 Sb6 -","- C3240 H3456 B144 F417.6 Fe120 N720 O504 Sb72 -","12","0.666667","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","1.54178","CuKα","","0.1191","0.1044","","","0.2693","0.2811","","","","","","1.05","","","","has coordinates,has disorder","177401","2020-10-21","18:00:00",""
"4124908","9.51433","0.00007","30.7713","0.0003","14.62555","0.00016","90","","91.4555","0.0007","90","","4280.52","0.07","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C32 H46 B2 Cl2 Fe N8 O8 -","- C32 H46 B2 Cl2 Fe N8 O8 -","- C128 H184 B8 Cl8 Fe4 N32 O32 -","4","2","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.715","synchrotron","","0.0547","0.0544","","","0.1484","0.149","","","","","","1.039","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124909","14.61747","0.00011","12.39563","0.00013","20.8854","0.0002","90","","90.6913","0.0008","90","","3784.01","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26.5 H42 B2 Cl2 Fe N8 O8.5 -","- C26.5 H42 B2 Cl2 Fe N8 O8.5 -","- C106 H168 B8 Cl8 Fe4 N32 O34 -","4","2","","Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay","Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.","Journal of the American Chemical Society","2016","138","6","2046","2054","10.1021/jacs.5b13190","","","0.715","synchrotron","","0.056","0.0558","","","0.1436","0.1439","","","","","","1.064","","","","has coordinates","177401","2020-10-21","18:00:00",""
"4124910","11.958","0.002","9.5891","0.0016","14.538","0.003","90","","92.944","0.005","90","","1664.8","0.5","200","","200","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","2","","Uchida, Kazuyuki; Ito, Soichi; Nakano, Masayoshi; Abe, Manabu; Kubo, Takashi","Biphenalenylidene: Isolation and Characterization of the Reactive Intermediate on the Decomposition Pathway of Phenalenyl Radical.","Journal of the American Chemical Society","2016","138","7","2399","2410","10.1021/jacs.5b13033","","","0.71075","MoKα","","0.1298","0.0535","","","0.1602","0.2083","","","","","","0.887","","","","has coordinates,has disorder","177397","2020-10-21","18:00:00",""
"4124911","8.87","0.0007","9.1094","0.0008","12.6095","0.001","104.489","0.003","90.358","0.003","111.767","0.003","910.54","0.13","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl4 N O4 -","- C16 H15 Cl4 N O4 -","- C32 H30 Cl8 N2 O8 -","2","1","","Cornella, Josep; Edwards, Jacob T.; Qin, Tian; Kawamura, Shuhei; Wang, Jie; Pan, Chung-Mao; Gianatassio, Ryan; Schmidt, Michael; Eastgate, Martin D.; Baran, Phil S.","Practical Ni-Catalyzed Aryl-Alkyl Cross-Coupling of Secondary Redox-Active Esters.","Journal of the American Chemical Society","2016","138","7","2174","2177","10.1021/jacs.6b00250","","x-ray","0.71073","MoKα","","0.0755","0.0544","","","0.1273","0.14","","","","","","1.035","","","","has coordinates","177398","2020-10-21","18:00:00",""
"4124912","22.866","0.003","25.495","0.003","35.966","0.004","88.15","0.005","84.817","0.005","66.58","0.005","19161","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C134 H108 F42 N35 O32 Re S14 Zn4 -","- C124 H108 F12 N30 O12 Re S4 Zn4 -","- C496 H432 F48 N120 O48 Re4 S16 Zn16 -","4","2","","Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.","Journal of the American Chemical Society","2016","138","7","2342","2351","10.1021/jacs.5b13016","","","0.6889","synchrotron","","0.101","0.0793","","","0.2283","0.247","","","","","","1.042","","","","has coordinates,has disorder","177396","2020-10-21","18:00:00",""
"4124913","24.768","0.005","30.452","0.006","33.974","0.007","79.78","0.03","85.57","0.03","86.58","0.03","25115","9","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H150 F48 N34 O32 S16 Zn4 -","- C197.5 H150 F40.25 N33 O27.75 S13.75 Zn4 -","- C790 H600 F161 N132 O111 S55 Zn16 -","4","2","","Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.","Journal of the American Chemical Society","2016","138","7","2342","2351","10.1021/jacs.5b13016","","","0.71073","MoKα","","0.1576","0.1183","","","0.3162","0.344","","","","","","1.162","","","","has coordinates,has disorder","177396","2020-10-21","18:00:00",""
"4124914","32.4651","0.0017","31.6257","0.0014","23.6124","0.0011","90","","117.268","0.002","90","","21549.5","1.8","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C136 H108 F48 N36 O32 S16 Zn4 -","- C124 H108 F12 N30 O8 S4 Zn4 -","- C496 H432 F48 N120 O32 S16 Zn16 -","4","0.5","","Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Sequence-Dependent Guest Release Triggered by Orthogonal Chemical Signals.","Journal of the American Chemical Society","2016","138","7","2342","2351","10.1021/jacs.5b13016","","","1.54178","CuKα","","0.1398","0.1185","","","0.3286","0.3474","","","","","","1.022","","","","has coordinates","177396","2020-10-21","18:00:00",""
"4124915","15.4542","0.0013","11.4011","0.0011","16.302","0.0014","90","","100.951","0.006","90","","2820","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 I O4 Si -","- C27 H37 I O4 Si -","- C108 H148 I4 O16 Si4 -","4","1","","Hari, Durga Prasad; Waser, Jerome","Copper-Catalyzed Oxy-Alkynylation of Diazo Compounds with Hypervalent Iodine Reagents.","Journal of the American Chemical Society","2016","138","7","2190","2193","10.1021/jacs.6b00278","","","0.71073","MoKα","","0.0655","0.0367","","","0.0616","0.0729","","","","","","1.144","","","","has coordinates,has disorder","177399","2020-10-21","18:00:00",""
"4124916","10.31","0.0018","7.0317","0.0013","10.73","0.002","90","","117.339","0.003","90","","691","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","0.5","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.062","0.0538","","","0.1389","0.1488","","","","","","1.048","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124917","10.6579","0.0019","18.645","0.003","7.3052","0.0012","90","","93.729","0.005","90","","1448.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.1223","0.0679","","","0.1545","0.1831","","","","","","1.037","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124918","7.237","0.003","11.544","0.005","16.87","0.008","90","","94.546","0.009","90","","1405","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan","Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.","Journal of the American Chemical Society","2016","138","7","2146","2149","10.1021/jacs.5b13353","","","0.71073","MoKα","","0.1289","0.1073","","","0.2936","0.3171","","","","","","1.089","","","","has coordinates","177395","2020-10-21","18:00:00",""
"4124919","9.2394","0.0019","15.092","0.003","16.25","0.003","90","","97.337","0.004","90","","2247.4","0.8","130","2","130","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C35 H51 Cl2 F6 Fe N5 O6 S2 Si -","- C35 H51 Cl2 F6 Fe N5 O6 S2 Si -","- C70 H102 Cl4 F12 Fe2 N10 O12 S4 Si2 -","2","1","","Cussó, Olaf; Cianfanelli, Marco; Ribas, Xavi; Klein Gebbink, Robertus J. M.; Costas, Miquel","Iron Catalyzed Highly Enantioselective Epoxidation of Cyclic Aliphatic Enones with Aqueous H2O2.","Journal of the American Chemical Society","2016","138","8","2732","2738","10.1021/jacs.5b12681","","","0.71073","MoKα","","0.1194","0.0596","","","0.1178","0.1367","","","","","","1.006","","","","has coordinates","177409","2020-10-21","18:00:00",""
"4124920","40.347","0.003","14.3228","0.0011","33.253","0.002","90","","102.448","0.002","90","","18765","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H142 Br3 Dy0.05 O9 P4 Y0.95 -","- C72 H142 Br3 Dy0.05 O9 P4 Y0.95 -","- C576 H1136 Br24 Dy0.4 O72 P32 Y7.6 -","8","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.1187","0.0596","","","0.121","0.1457","","","","","","0.978","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124921","40.4082","0.0015","14.2356","0.0007","33.0134","0.0014","90","","102.663","0.001","90","","18528.5","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H142 Br3 Dy O9 P4 -","- C72 H142 Br3 Dy O9 P4 -","- C576 H1136 Br24 Dy8 O72 P32 -","8","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.0755","0.0545","","","0.1265","0.1342","","","","","","1.064","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124922","11.7472","0.0005","29.5882","0.0011","19.4338","0.0008","90","","97.434","0.002","90","","6698","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H117 Cl3 Dy O10 P3 -","- C56 H117 Cl3 Dy O10 P3 -","- C224 H468 Cl12 Dy4 O40 P12 -","4","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.1088","0.0605","","","0.1132","0.1324","","","","","","1.018","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124923","11.7525","0.0008","29.615","0.002","19.4336","0.0015","90","","97.389","0.002","90","","6707.7","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H117 Cl3 Dy0.05 O10 P3 Y0.95 -","- C56 H117 Cl3 Dy0.05 O10 P3 Y0.95 -","- C224 H468 Cl12 Dy0.2 O40 P12 Y3.8 -","4","1","","Chen, Yan-Cong; Liu, Jun-Liang; Ungur, Liviu; Liu, Jiang; Li, Quan-Wen; Wang, Long-Fei; Ni, Zhao-Ping; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang","Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets.","Journal of the American Chemical Society","2016","138","8","2829","2837","10.1021/jacs.5b13584","","","0.71073","MoKα","","0.108","0.0569","","","0.1227","0.1476","","","","","","1.063","","","","has coordinates","177408","2020-10-21","18:00:00",""
"4124924","3.9984","0.0002","3.9984","0.0002","10.3696","0.0006","90","","90","","90","","165.781","0.015","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Ca0.9 Co1.906 Eu0.1 -","- As2 Ca0.901 Co1.906 Eu0.099 -","- As4 Ca1.802 Co3.812 Eu0.198 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.026","0.0257","","","0.0578","0.058","","","","","","1.2","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124925","3.9927","0.0002","3.9927","0.0002","10.3133","0.0006","90","","90","","90","","164.411","0.015","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Ca Co1.87 -","- As2 Ca Co1.874 -","- As4 Ca2 Co3.748 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.0204","0.02","","","0.0476","0.0477","","","","","","1.161","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124926","4.0018","0.0002","4.0018","0.0002","10.3726","0.0008","90","","90","","90","","166.111","0.017","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Ca0.845 Co1.888 La0.155 -","- As2 Ca0.845 Co1.888 La0.155 -","- As4 Ca1.69 Co3.776 La0.31 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.0337","0.0256","","","0.0643","0.071","","","","","","1.188","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124927","3.929","0.0013","3.929","0.0013","11.512","0.004","90","","90","","90","","177.71","0.1","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","2014/7","","- As2 Co2 Eu -","- As2 Co1.996 Eu -","- As4 Co3.992 Eu2 -","2","0.0625","","Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael","A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca).","Journal of the American Chemical Society","2016","138","8","2724","2731","10.1021/jacs.5b12659","","","0.71073","MoKα","","0.0191","0.0188","","","0.0494","0.0496","","","","","","1.259","","","","has coordinates","177410","2020-10-21","18:00:00",""
"4124928","8.7222","0.0002","9.0474","0.0003","13.4007","0.0004","72.361","0.002","82.014","0.002","89.406","0.002","997.44","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13.5 H16 Cu F6 N6 S2 -","- C13.5 H16 Cu F6 N6 S2 -","- C27 H32 Cu2 F12 N12 S4 -","2","1","","Xie, Da; King, Tyler L.; Banerjee, Arnab; Kohli, Vikraant; Que, Emily L.","Exploiting Copper Redox for (19)F Magnetic Resonance-Based Detection of Cellular Hypoxia.","Journal of the American Chemical Society","2016","138","9","2937","2940","10.1021/jacs.5b13215","","","1.54184","CuKα","","0.0381","0.036","","","0.0989","0.1012","","","","","","0.926","","","","has coordinates,has disorder","181435","2020-10-21","18:00:00",""
"4124929","18.3804","0.0012","4.2514","0.0003","19.3037","0.001","90","","98.606","0.006","90","","1491.45","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cu F3 N6 S2 -","- C9 H13 Cu F3 N6 S2 -","- C36 H52 Cu4 F12 N24 S8 -","4","1","","Xie, Da; King, Tyler L.; Banerjee, Arnab; Kohli, Vikraant; Que, Emily L.","Exploiting Copper Redox for (19)F Magnetic Resonance-Based Detection of Cellular Hypoxia.","Journal of the American Chemical Society","2016","138","9","2937","2940","10.1021/jacs.5b13215","","","1.54184","CuKα","","0.0568","0.0463","","","0.1186","0.1262","","","","","","1.018","","","","has coordinates","181435","2020-10-21","18:00:00",""
"4124930","10.043","0.002","21.568","0.005","22.489","0.005","90.129","0.008","90.63","0.008","96.237","0.008","4842.1","1.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.25 H77 N5 O P Si2 -","- C48.25 H77 N5 O P Si2 -","- C193 H308 N20 O4 P4 Si8 -","4","2","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.284","0.0855","","","0.1308","0.1913","","","","","","0.919","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4124931","12.4232","0.0006","26.8031","0.0013","18.2009","0.0008","90","","102.66","0.002","90","","5913.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H78 N3 O P Si2 -","- C60.5 H78 N3 O P Si2 -","- C242 H312 N12 O4 P4 Si8 -","4","1","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.0858","0.0676","","","0.1912","0.2065","","","","","","1.096","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4124932","15.3555","0.0015","15.3555","0.0015","30.769","0.003","90","","90","","120","","6283.1","1.1","193","2","193","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H132 N6 O5 P2 Si4 -","- C84 H132 N6 O5 P2 Si4 -","- C252 H396 N18 O15 P6 Si12 -","3","0.5","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.0809","0.066","","","0.1561","0.1649","","","","","","1.066","","","","has coordinates,has disorder","181436","2020-10-21","18:00:00",""
"4124933","19.603","0.004","13.44","0.003","22.585","0.004","90","","110.951","0.008","90","","5557","2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 N3 O P Si3 -","- C62 H78 N3 O P Si3 -","- C248 H312 N12 O4 P4 Si12 -","4","1","","Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.","Journal of the American Chemical Society","2016","138","9","2965","2968","10.1021/jacs.6b00631","","","0.71073","MoKα","","0.1453","0.0604","","","0.1167","0.1455","","","","","","1.004","","","","has coordinates","181436","2020-10-21","18:00:00",""
"4124934","9.26","0.006","13.682","0.009","14.851","0.009","108.401","0.003","98.141","0.005","109.143","0.008","1622.3","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 Cl2 N2 S -","- C44 H30 Cl2 N2 S -","- C88 H60 Cl4 N4 S2 -","2","1","","Hong, Jung-Ho; Aslam, Adil S.; Ishida, Masatoshi; Mori, Shigeki; Furuta, Hiroyuki; Cho, Dong-Gyu","2-(Naphthalen-1-yl)thiophene as a New Motif for Porphyrinoids: Meso-Fused Carbaporphyrin.","Journal of the American Chemical Society","2016","138","15","4992","4995","10.1021/jacs.6b01063","","","0.71075","MoKα","","0.1109","0.0891","","","0.2187","0.236","","","","","","1.021","","","","has coordinates","182497","2020-10-21","18:00:00",""
"4124935","9.169","0.003","13.469","0.005","15.617","0.006","107.223","0.004","100.014","0.005","102.029","0.004","1743.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H36 N2 O Pd S -","- C47 H36 N2 O Pd S -","- C94 H72 N4 O2 Pd2 S2 -","2","1","","Hong, Jung-Ho; Aslam, Adil S.; Ishida, Masatoshi; Mori, Shigeki; Furuta, Hiroyuki; Cho, Dong-Gyu","2-(Naphthalen-1-yl)thiophene as a New Motif for Porphyrinoids: Meso-Fused Carbaporphyrin.","Journal of the American Chemical Society","2016","138","15","4992","4995","10.1021/jacs.6b01063","","","0.71075","MoKα","","0.0423","0.0378","","","0.076","0.0785","","","","","","1.072","","","","has coordinates,has disorder","182497","2020-10-21","18:00:00",""
"4124936","42.258","0.019","20.861","0.009","43.42","0.03","90","","114.457","0.005","90","","34842","3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C280 H364 Au44 S28 -","- C280 H364 Au44 S28 -","- C1120 H1456 Au176 S112 -","4","0.5","","Zeng, Chenjie; Chen, Yuxiang; Iida, Kenji; Nobusada, Katsuyuki; Kirschbaum, Kristin; Lambright, Kelly J.; Jin, Rongchao","Gold Quantum Boxes: On the Periodicities and the Quantum Confinement in the Au28, Au36, Au44, and Au52 Magic Series.","Journal of the American Chemical Society","2016","138","12","3950","","10.1021/jacs.5b12747","","","0.71073","MoKα","","0.1896","0.114","","","0.1809","0.1944","","","","","","2.633","","","","has coordinates,has disorder","181429","2020-10-21","18:00:00",""
"4124937","12.802","0.0015","13.5388","0.0015","20.551","0.002","89.663","0.004","89.314","0.003","89.923","0.003","3561.7","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H59 Lu O Si4 -","- C28 H59 Lu O Si4 -","- C112 H236 Lu4 O4 Si16 -","4","2","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","x-ray","0.71073","MoKα","","0.1059","0.0801","","","0.1761","0.1925","","","","","","1.198","","","","has coordinates,has disorder","181433","2020-10-21","18:00:00",""
"4124938","16.1659","0.0003","16.1659","0.0003","8.57041","0.00016","90","","90","","120","","1939.69","0.06","100","","100","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C24 H57 Lu Si6.73 -","- C24 H57 Lu Si6.737 -","- C48 H114 Lu2 Si13.474 -","2","0.333333","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","","0.71073","MoKα","","0.0277","0.0252","","","0.055","0.0558","","","","","","1.095","","","","has coordinates","181433","2020-10-21","18:00:00",""
"4124939","12.6449","0.001","14.338","0.0011","22.5972","0.0018","69.3403","0.0014","77.9753","0.0014","89.5638","0.0014","3739.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C140 H244 Lu4 O8 Si8 -","- C140 H244 Lu4 O8 Si8 -","- C140 H244 Lu4 O8 Si8 -","1","0.5","","Conley, Matthew P.; Lapadula, Giuseppe; Sanders, Kevin; Gajan, David; Lesage, Anne; Del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Copéret, Christophe; Andersen, Richard A.","The Nature of Secondary Interactions at Electrophilic Metal Sites of Molecular and Silica-Supported Organolutetium Complexes from Solid-State NMR Spectroscopy.","Journal of the American Chemical Society","2016","138","11","3831","3843","10.1021/jacs.6b00071","","x-ray","0.71073","MoKα","","0.0665","0.0427","","","0.0899","0.0989","","","","","","0.99","","","","has coordinates","181433","2020-10-21","18:00:00",""
"4124940","6.47304","0.00018","15.3437","0.0003","8.7824","0.0002","90","","106.276","0.003","90","","837.31","0.04","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Izquierdo, Joseba; Landa, Aitor; Bastida, Iñaki; López, Rosa; Oiarbide, Mikel; Palomo, Claudio","Base-Catalyzed Asymmetric α-Functionalization of 2-(Cyanomethyl)azaarene N-Oxides Leading to Quaternary Stereocenters.","Journal of the American Chemical Society","2016","138","10","3282","3285","10.1021/jacs.5b13385","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.0936","0.0944","","","","","","1.068","","","","has coordinates","181426","2020-10-21","18:00:00",""
"4124941","10.8427","0.0002","11.51906","0.00018","12.7877","0.0003","90","","107.159","0.002","90","","1526.06","0.05","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C30 H31 N5 O8 -","- C30 H31 N5 O8 -","- C60 H62 N10 O16 -","2","1","","Izquierdo, Joseba; Landa, Aitor; Bastida, Iñaki; López, Rosa; Oiarbide, Mikel; Palomo, Claudio","Base-Catalyzed Asymmetric α-Functionalization of 2-(Cyanomethyl)azaarene N-Oxides Leading to Quaternary Stereocenters.","Journal of the American Chemical Society","2016","138","10","3282","3285","10.1021/jacs.5b13385","","x-ray","1.54184","CuKα","","0.0432","0.0389","","","0.1008","0.1047","","","","","","1.038","","","","has coordinates","181426","2020-10-21","18:00:00",""
"4124942","10.2159","0.0005","9.57","0.0004","19.2612","0.001","90","","93.705","0.002","90","","1879.16","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br N Si -","- C20 H20 Br N Si -","- C80 H80 Br4 N4 Si4 -","4","1","","Ma, Yuanhong; Wang, Baoli; Zhang, Liang; Hou, Zhaomin","Boron-Catalyzed Aromatic C-H Bond Silylation with Hydrosilanes.","Journal of the American Chemical Society","2016","138","11","3663","3666","10.1021/jacs.6b01349","","","0.71073","MoKα","","0.0379","0.0303","","","0.0753","0.0806","","","","","","1.06","","","","has coordinates","181434","2020-10-21","18:00:00",""
"4124943","16.8026","0.0017","26.903","0.003","18.9027","0.0019","90","","93.495","0.002","90","","8528.9","1.5","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 Co2 F18 N6 O6.88 P3 -","- C32 H33 Co2 F18 N6 O6.88 P3 -","- C256 H264 Co16 F144 N48 O55.04 P24 -","8","1","","Ullman, Andrew M.; Brodsky, Casey N.; Li, Nancy; Zheng, Shao-Liang; Nocera, Daniel G.","Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts.","Journal of the American Chemical Society","2016","138","12","4229","","10.1021/jacs.6b00762","","","0.71073","MoKα","","0.0417","0.0393","","","0.1188","0.1207","","","","","","1.041","","","","has coordinates,has disorder","181430","2020-10-21","18:00:00",""
"4124944","13.602","0.004","34.516","0.011","24.963","0.008","90","","105.046","0.005","90","","11318","6","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C160 H146 Cl11 Co10 N30 O102 P5 -","- C160 H146 Cl11.004 Co10 N30 O102 P5 -","- C320 H292 Cl22.008 Co20 N60 O203.999 P10 -","2","0.5","","Ullman, Andrew M.; Brodsky, Casey N.; Li, Nancy; Zheng, Shao-Liang; Nocera, Daniel G.","Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts.","Journal of the American Chemical Society","2016","138","12","4229","","10.1021/jacs.6b00762","","","0.71073","MoKα","","0.1089","0.0764","","","0.2072","0.228","","","","","","1.068","","","","has coordinates,has disorder","181430","2020-10-21","18:00:00",""
"4124945","10.458","0.002","10.973","0.002","23.741","0.005","90","","90","","90","","2724.4","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N3 O7 S2 -","- C29 H25 N3 O7 S2 -","- C116 H100 N12 O28 S8 -","4","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","1.54178","CuKα","","0.041","0.0404","","","0.1108","0.1114","","","","","","1.04","","","","has coordinates","181428","2020-10-21","18:00:00",""
"4124946","9.9032","0.0009","16.5182","0.0016","17.4642","0.0016","90","","101.444","0.002","90","","2800.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N2 O4 S -","- C32 H34 N2 O4 S -","- C128 H136 N8 O16 S4 -","4","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","0.71073","MoKα","","0.0735","0.053","","","0.1383","0.1521","","","","","","1.03","","","","has coordinates","181428","2020-10-21","18:00:00",""
"4124947","7.9051","0.0008","12.8088","0.0012","17.3521","0.0017","93.167","0.002","98.943","0.002","92.014","0.002","1731.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 N2 O8 S -","- C35 H36 N2 O8 S -","- C70 H72 N4 O16 S2 -","2","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","0.71073","MoKα","","0.0693","0.054","","","0.1674","0.178","","","","","","1.049","","","","has coordinates,has disorder","181428","2020-10-21","18:00:00",""
"4124948","10.4203","0.001","20.5076","0.0019","15.4032","0.0015","90","","91.771","0.005","90","","3290","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","trp011414","trp011414","","- C27 H46 B F3 N6 O3 S Zn -","- C27 H46 B F3 N6 O3 S Zn -","- C108 H184 B4 F12 N24 O12 S4 Zn4 -","4","1","","Hayes, Ellen C.; Porter, Thomas R.; Barrows, Charles J.; Kaminsky, Werner; Mayer, James M.; Stoll, Stefan","Electronic Structure of a Cu(II)-Alkoxide Complex Modeling Intermediates in Copper-Catalyzed Alcohol Oxidations.","Journal of the American Chemical Society","2016","138","12","4132","","10.1021/jacs.5b13088","","","0.71073","MoKα","","0.1007","0.069","","","0.1576","0.1813","","","","","","1.14","","","","has coordinates,has disorder","181431","2020-10-21","18:00:00",""
"4124949","10.364","0.0004","10.9643","0.0004","18.9571","0.0008","88.362","0.002","84.43","0.002","83.401","0.002","2129.46","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H63 Fe K N2 O P3 Si -","- C40 H63 Fe K N2 O P3 Si -","- C80 H126 Fe2 K2 N4 O2 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","1.54178","CuKα","","0.0841","0.0607","","","0.1375","0.1502","","","","","","1.03","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124950","12.9079","0.0007","16.5462","0.0009","19.6878","0.0012","75.755","0.003","77.192","0.003","78.758","0.003","3930.1","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C76.3 H85 B F24 Fe N2 O2 P3 Si -","- C76.3 H85 B F24 Fe N2 O2 P3 Si -","- C152.6 H170 B2 F48 Fe2 N4 O4 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0653","0.0437","","","0.118","0.1256","","","","","","1.077","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124951","27.371","0.003","12.5437","0.0011","31.967","0.003","90","","108.726","0.003","90","","10394.4","1.8","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H67.35 F3 Fe N2 O5 P3 S Si -","- C45.5 H67.352 F3 Fe N2 O5 P3 S Si -","- C364 H538.816 F24 Fe8 N16 O40 P24 S8 Si8 -","8","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0566","0.0424","","","0.1023","0.109","","","","","","1.051","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124952","20.9744","0.0009","14.6729","0.0007","13.7649","0.0008","90","","90","","90","","4236.2","0.4","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C39 H60 F3 Fe N2 O3 P3 S Si -","- C39 H60 F3 Fe N2 O3 P3 S Si -","- C156 H240 F12 Fe4 N8 O12 P12 S4 Si4 -","4","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.0367","0.0321","","","0.0766","0.0786","","","","","","1.061","","","","has coordinates,has disorder","181427","2020-10-21","18:00:00",""
"4124953","10.3195","0.0009","10.8239","0.001","19.347","0.0017","78.665","0.005","78.078","0.005","62.522","0.004","1863.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 Fe N2 P3 Si -","- C38 H60 Fe N2 P3 Si -","- C76 H120 Fe2 N4 P6 Si2 -","2","1","","Rittle, Jonathan; Peters, Jonas C.","An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe═NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction.","Journal of the American Chemical Society","2016","138","12","4243","","10.1021/jacs.6b01230","","","0.71073","MoKα","","0.032","0.0269","","","0.0681","0.071","","","","","","1.029","","","","has coordinates","181427","2020-10-21","18:00:00",""
"4124954","9.8048","0.0012","9.0206","0.001","5.31486","0.00065","90","","106.544","0.0043","90","","450.61","0.09","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 -","- Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 -","- Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 -","1","0.125","","Zhiguo Xia; Guokui Liu; Jianguo Wen; Zhigang Mei; Mahalingam Balasubramanian; Maxim S. Molokeev; Licong Peng; Lin Gu; Dean J. Miller; Quanlin Liu; Kenneth R. Poeppelmeier","Tuning of Photoluminescence by Cation Nanosegregation in the (CaMg)x(NaSc)1-xSi2O6 Solid Solution","Journal of the American Chemical Society","2016","138","4","1158","1161","10.1021/jacs.5b12788","powder diffraction","x-ray","0.4246","synchrotron","","","","","","","","","1.52","1.469","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124955","23.873","0.005","8.3386","0.0018","42.097","0.009","90","","100.33","0.003","90","","8244","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N0.68 O8 Si4 -","- C40 H48 N0.68 O8 Si4 -","- C320 H384 N5.44 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0771","0.0536","","","0.1271","0.1367","","","","","","1.036","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124956","23.804","0.003","8.3344","0.0011","42.266","0.005","90","","99.346","0.002","90","","8273.9","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 Xe0.79 -","- C40 H48 O8 Si4 Xe0.79 -","- C320 H384 O64 Si32 Xe6.32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0424","0.0367","","","0.0835","0.0861","","","","","","1.024","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124957","23.828","0.003","8.3065","0.0009","42.146","0.004","90","","99.653","0.001","90","","8223.7","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.8 H50.4 F0.8 O8 Si4 -","- C40.8 H50.4 F0.8 O8 Si4 -","- C326.4 H403.2 F6.4 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0778","0.0543","","","0.1114","0.1187","","","","","","1.039","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124958","23.834","0.003","8.3285","0.0012","42.189","0.006","90","","99.798","0.002","90","","8252","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.84 H51.36 O8 Si4 -","- C40.84 H48 O8 Si4 -","- C326.72 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0561","0.0441","","","0.1096","0.1148","","","","","","1.03","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124959","23.823","0.002","8.3369","0.0007","42.087","0.004","90","","99.935","0.001","90","","8233.5","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Kr0.51 O8 Si4 -","- C40 H48 Kr0.51 O8 Si4 -","- C320 H384 Kr4.08 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0832","0.0489","","","0.1069","0.1154","","","","","","1.04","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124960","23.8489","0.0014","8.3186","0.0005","42.289","0.003","90","","99.377","0.001","90","","8277.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.83 H51.32 O8 S0.83 Si4 -","- C40.83 H51.32 O8 S0.83 Si4 -","- C326.64 H410.56 O64 S6.64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0545","0.0503","","","0.1207","0.1225","","","","","","1.127","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124961","23.909","0.003","8.4216","0.001","42.409","0.005","90","","100.522","0.002","90","","8395.6","1.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 -","- C40 H48 O8 Si4 -","- C320 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0887","0.0508","","","0.1389","0.1552","","","","","","1.047","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124962","23.8634","0.0018","8.3296","0.0006","42.051","0.003","90","","100.508","0.001","90","","8218.4","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48.58 O8.29 Si4 -","- C40 H48 O8.29 Si4 -","- C320 H384 O66.32 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0572","0.0447","","","0.1148","0.1225","","","","","","0.854","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124963","23.896","0.003","8.3362","0.001","42.099","0.005","90","","100.506","0.001","90","","8245.6","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48.42 O8.21 Si4 -","- C40 H48 O8.21 Si4 -","- C320 H384 O65.68 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0679","0.0474","","","0.1145","0.1214","","","","","","0.956","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124964","23.819","0.002","8.3375","0.0009","42.216","0.004","90","","99.032","0.001","90","","8279.8","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Cl O8 Si4 -","- C41 H51 Cl O8 Si4 -","- C328 H408 Cl8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0704","0.0521","","","0.1356","0.1445","","","","","","1.059","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124965","23.806","0.002","8.3338","0.0008","42.087","0.004","90","","99.934","0.002","90","","8224.6","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Kr0.52 O8 Si4 -","- C40 H48 Kr0.52 O8 Si4 -","- C320 H384 Kr4.16 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.048","0.0377","","","0.0838","0.0869","","","","","","1.051","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124966","23.891","0.0019","8.3191","0.0007","41.994","0.003","90","","100.294","0.001","90","","8212","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.36 H48 O8.72 Si4 -","- C40.36 H48 O8.72 Si4 -","- C322.88 H384 O69.76 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0814","0.0511","","","0.1135","0.1229","","","","","","1.098","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124967","23.765","0.002","8.4219","0.0007","42.791","0.004","90","","101.108","0.001","90","","8404","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40.74 H49.48 Br0.74 Cl0.74 O8 Si4 -","- C40.74 H49.48 Br0.74 Cl0.74 O8 Si4 -","- C325.92 H395.84 Br5.92 Cl5.92 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0805","0.0555","","","0.1207","0.1278","","","","","","1.043","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124968","23.781","0.003","8.3577","0.001","42.317","0.005","90","","98.998","0.002","90","","8307.2","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Br O8 Si4 -","- C41 H51 Br O8 Si4 -","- C328 H408 Br8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0616","0.0536","","","0.139","0.1427","","","","","","1.047","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124969","23.87","0.003","8.3289","0.001","42.091","0.005","90","","100.485","0.002","90","","8228.4","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N0.28 O8 Si4 -","- C40 H48 N0.28 O8 Si4 -","- C320 H384 N2.24 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0645","0.0451","","","0.1042","0.1112","","","","","","1.042","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124970","23.925","0.01","8.351","0.004","42.16","0.017","90","","100.429","0.005","90","","8284","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N0.46 O8 Si4 -","- C40 H48 N0.46 O8 Si4 -","- C320 H384 N3.68 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0617","0.0438","","","0.1054","0.1122","","","","","","1.04","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124971","23.785","0.002","8.3252","0.0007","42.237","0.004","90","","99.359","0.001","90","","8252.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 Xe0.77 -","- C40 H48 O8 Si4 Xe0.77 -","- C320 H384 O64 Si32 Xe6.16 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.073","0.0559","","","0.1061","0.1103","","","","","","1.16","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124972","23.8264","0.0018","8.3413","0.0006","42.248","0.003","90","","99.931","0.001","90","","8270.7","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.16 H51.48 O8 Si4 -","- C41.16 H51.48 O8 Si4 -","- C329.28 H411.84 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0644","0.0526","","","0.1128","0.117","","","","","","1.09","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124973","23.7418","0.0015","8.3761","0.0005","42.667","0.003","90","","99.403","0.001","90","","8370.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 I O8 Si4 -","- C41 H51 I O8 Si4 -","- C328 H408 I8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.069","0.0514","","","0.1279","0.1362","","","","","","1.059","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124974","23.7918","0.0015","8.3456","0.0005","42.268","0.003","90","","99.785","0.001","90","","8270.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.44 H52.32 O8 Si4 -","- C41.44 H52.32 O8 Si4 -","- C331.52 H418.56 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0644","0.05","","","0.1104","0.1157","","","","","","1.062","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124975","23.598","0.002","8.4762","0.0007","42.844","0.004","90","","99.75","0.001","90","","8445.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H53 Cl O8 Si4 -","- C42 H53 Cl O8 Si4 -","- C336 H424 Cl8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0529","0.0421","","","0.1062","0.1117","","","","","","1","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124976","23.844","0.002","8.3749","0.0008","42.788","0.004","90","","101.337","0.001","90","","8377.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.85 H49.7 Cl1.7 O8 Si4 -","- C40.85 H49.7 Cl1.7 O8 Si4 -","- C326.8 H397.6 Cl13.6 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0706","0.0461","","","0.1056","0.1143","","","","","","1.052","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124977","23.8542","0.0015","8.3297","0.0005","42.074","0.003","90","","99.53","0.001","90","","8244.7","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.22 H50.44 O8 Si4 -","- C41.22 H50.44 O8 Si4 -","- C329.76 H403.52 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0592","0.0447","","","0.1062","0.1124","","","","","","1.018","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124978","23.835","0.004","8.3212","0.0013","42.075","0.006","90","","100.274","0.002","90","","8211","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.23 H48.69 F0.23 O8 Si4 -","- C40.23 H48.69 F0.23 O8 Si4 -","- C321.84 H389.52 F1.84 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.084","0.0528","","","0.1222","0.1326","","","","","","1.125","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124979","23.828","0.005","8.3023","0.0017","42.093","0.009","90","","99.374","0.003","90","","8216","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H49.7 O8 S0.85 Si4 -","- C40 H49.7 O8 S0.85 Si4 -","- C320 H397.6 O64 S6.8 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.072","0.0509","","","0.1088","0.1162","","","","","","1.058","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124980","23.901","0.002","8.3164","0.0008","41.986","0.004","90","","100.205","0.001","90","","8213.5","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.46 H48 O8.92 Si4 -","- C40.46 H48 O8.92 Si4 -","- C323.68 H384 O71.36 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0725","0.0475","","","0.113","0.1222","","","","","","1.103","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124981","23.922","0.003","8.283","0.0011","42.467","0.005","90","","100.387","0.001","90","","8276.8","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 N O10 Si4 -","- C41 H51 N O10 Si4 -","- C328 H408 N8 O80 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0503","0.0411","","","0.1038","0.1082","","","","","","1.04","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124982","23.8337","0.0017","8.349","0.0006","42.261","0.003","90","","99.898","0.001","90","","8284.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.16 H51.48 O8 Si4 -","- C41.16 H51.48 O8 Si4 -","- C329.28 H411.84 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.062","0.0543","","","0.1173","0.12","","","","","","1.155","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124983","23.906","0.002","8.3015","0.0008","42.15","0.004","90","","100.301","0.001","90","","8230.1","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.67 H50.68 O8.67 Si4 -","- C40.67 H50.68 O8.67 Si4 -","- C325.36 H405.44 O69.36 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0872","0.0522","","","0.1153","0.1271","","","","","","1.078","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124984","23.851","0.003","8.3122","0.0009","42.101","0.005","90","","100.069","0.001","90","","8218.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.37 H49.39 F0.37 O8.14 Si4 -","- C40.37 H49.11 F0.37 O8.14 Si4 -","- C322.96 H392.88 F2.96 O65.12 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0765","0.0501","","","0.1218","0.1322","","","","","","1.121","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124985","23.804","0.005","8.3353","0.0019","42.068","0.01","90","","100.038","0.004","90","","8219","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Ar0.61 O8 Si4 -","- C40 H48 Ar0.61 O8 Si4 -","- C320 H384 Ar4.88 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0607","0.0479","","","0.1176","0.1241","","","","","","1.02","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124986","23.797","0.007","8.333","0.002","42.275","0.012","90","","99.38","0.004","90","","8271","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 Xe0.79 -","- C40 H48 O8 Si4 Xe0.79 -","- C320 H384 O64 Si32 Xe6.32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0884","0.0564","","","0.1184","0.1263","","","","","","1.085","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124987","23.878","0.002","8.3377","0.0009","42.105","0.004","90","","100.631","0.001","90","","8238.7","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 O8 Si4 -","- C40 H48 O8 Si4 -","- C320 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.066","0.0472","","","0.1308","0.1434","","","","","","1.065","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124988","23.86","0.0012","8.3389","0.0004","42.135","0.002","90","","100.525","0.001","90","","8242.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 I0.12 O8 Si4 -","- C40 H48 I0.12 O8 Si4 -","- C320 H384 I0.96 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0766","0.0556","","","0.1257","0.1334","","","","","","1.057","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124989","23.811","0.002","8.3707","0.0008","42.646","0.004","90","","100.829","0.001","90","","8348.6","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.64 H52.92 O8.82 Si4 -","- C41.64 H52.92 O8.82 Si4 -","- C333.12 H423.36 O70.56 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0713","0.0522","","","0.1197","0.1273","","","","","","1.03","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124990","23.8513","0.0017","8.3338","0.0006","42.06","0.003","90","","100.528","0.001","90","","8219.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Kr0.07 O8 Si4 -","- C40 H48 Kr0.07 O8 Si4 -","- C320 H384 Kr0.56 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0943","0.054","","","0.1126","0.1236","","","","","","1.025","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124991","23.842","0.002","8.3261","0.0007","42.069","0.004","90","","99.529","0.001","90","","8235.9","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.3 H50.6 O8 Si4 -","- C41.3 H50.6 O8 Si4 -","- C330.4 H404.8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0506","0.0429","","","0.1022","0.1056","","","","","","1.029","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124992","23.782","0.003","8.3354","0.0009","42.228","0.005","90","","98.903","0.001","90","","8270.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H51 Cl O8 Si4 -","- C41 H51 Cl O8 Si4 -","- C328 H408 Cl8 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0803","0.0481","","","0.104","0.1133","","","","","","1.058","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124993","23.867","0.003","8.3297","0.0009","42.143","0.005","90","","100.399","0.002","90","","8240.6","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.26 H48.78 O8.13 Si4 -","- C40.26 H48.78 O8.13 Si4 -","- C322.08 H390.24 O65.04 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0849","0.0519","","","0.1178","0.1287","","","","","","1.068","","","","has coordinates,has disorder","182493","2020-10-21","18:00:00",""
"4124994","23.839","0.002","8.3267","0.0008","42.192","0.004","90","","99.767","0.001","90","","8253.7","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40.79 H51.16 O8 Si4 -","- C40.79 H48 O8 Si4 -","- C326.32 H384 O64 Si32 -","8","1","","Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis","Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.","Journal of the American Chemical Society","2016","138","13","4377","4392","10.1021/jacs.5b11395","","","0.71073","MoKα","","0.0573","0.0442","","","0.1112","0.1174","","","","","","1.048","","","","has coordinates","182493","2020-10-21","18:00:00",""
"4124995","12.6179","0.0004","16.9418","0.0006","21.2119","0.0007","80.997","0.003","74.486","0.003","87.144","0.003","4315.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H85 B F24 N4 Si2 -","- C86 H85 B F24 N4 Si2 -","- C172 H170 B2 F48 N8 Si4 -","2","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0778","0.0456","","","0.1047","0.1142","","","","","","0.945","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124996","21.7127","0.0005","29.2279","0.0008","26.0364","0.0005","90","","90","","90","","16523.1","0.7","123","2","123","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C84 H86 B F20 Li N4 Si2 -","- C84 H86 B F20 Li N4 Si2 -","- C672 H688 B8 F160 Li8 N32 Si16 -","8","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0745","0.049","","","0.1035","0.1116","","","","","","0.915","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124997","17.9849","0.0006","22.4945","0.001","21.353","0.0007","90","","95.132","0.003","90","","8604","0.6","123","2","123","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C86 H84 B F24 N4 Na Si2 -","- C86 H84 B F24.006 N4 Na Si2 -","- C344 H336 B4 F96.024 N16 Na4 Si8 -","4","0.5","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.1439","0.0452","","","0.0989","0.1331","","","","","","0.698","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124998","12.5317","0.0004","16.8752","0.0005","21.5506","0.0007","81.388","0.003","74.544","0.002","87.162","0.002","4342.8","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H87 B F24 N4 Si2 -","- C87 H87 B F24 N4 Si2 -","- C174 H174 B2 F48 N8 Si4 -","2","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0797","0.0531","","","0.1397","0.1515","","","","","","1.05","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4124999","12.6984","0.0004","16.103","0.0005","21.2179","0.0007","86.027","0.003","88.262","0.002","89.457","0.003","4326.1","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H89 B F24 N4 Si2 -","- C88 H89 B F24.003 N4 Si2 -","- C176 H178 B2 F48.006 N8 Si4 -","2","1","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.0878","0.0497","","","0.1177","0.1277","","","","","","0.922","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4125000","22.2131","0.0007","10.9141","0.0003","24.0009","0.0007","90","","108.11","0.002","90","","5530.4","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","pjs257","","","- C50.5 H79 Br2 Cl P4 Pt2 -","- C50.5 H79 Br2 Cl P4 Pt2 -","- C202 H316 Br8 Cl4 P16 Pt8 -","4","1","","Yan, Xuzhou; Wang, Ming; Cook, Timothy R.; Zhang, Mingming; Saha, Manik Lal; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Light-Emitting Superstructures with Anion Effect: Coordination-Driven Self-Assembly of Pure Tetraphenylethylene Metallacycles and Metallacages.","Journal of the American Chemical Society","2016","138","13","4580","4588","10.1021/jacs.6b00846","","","0.71073","MoKα","","0.044","0.033","","","0.0599","0.0633","","","","","","1.051","","","","has coordinates,has disorder","182494","2020-10-21","18:00:00",""
"4125001","24.1826","0.0009","24.3191","0.0009","29.0112","0.001","83.595","0.002","83.303","0.002","85.177","0.002","16795.6","1.1","150","1","150","1","","","","","","","","6","P -1","-P 1","2","pjs256","","","- C50 H78 N2 O6 P4 Pt2 -","- C50 H78 N2 O6 P4 Pt2 -","- C600 H936 N24 O72 P48 Pt24 -","12","6","","Yan, Xuzhou; Wang, Ming; Cook, Timothy R.; Zhang, Mingming; Saha, Manik Lal; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.","Light-Emitting Superstructures with Anion Effect: Coordination-Driven Self-Assembly of Pure Tetraphenylethylene Metallacycles and Metallacages.","Journal of the American Chemical Society","2016","138","13","4580","4588","10.1021/jacs.6b00846","","","0.71073","MoKα","","0.0708","0.0376","","","0.0632","0.0726","","","","","","1.032","","","","has coordinates,has disorder","182494","2020-10-21","18:00:00",""
"4125002","19.4712","0.0002","14.5386","0.0002","18.715","0.0002","90","","105.386","0.0005","90","","5108.04","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B2 N5 Sn -","- C52 H74 B2 N5 Sn -","- C208 H296 B8 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.0577","0.0475","","0.1302","0.1173","0.1298","","","","","","0.9265","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125003","20.3402","0.0002","12.8395","0.0001","22.829","0.0003","90","","102.9","0.0011","90","","5811.51","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sn{B(NArCH)2}2NtBu","","- C57.5 H86.5 B2 N5 Sn -","- C57.5 H86.5 B2 N5 Sn -","- C230 H346 B8 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0412","0.0368","","0.0292","0.0274","0.0269","","","","","","1.0373","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125004","12.6324","0.0002","20.8368","0.0003","19.7169","0.0003","90","","95.4397","0.0014","90","","5166.49","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B2 N4 Sn -","- C52 H74 B2 N4 Sn -","- C208 H296 B8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0424","0.039","","0.0395","0.0389","0.0386","","","","","","1.1417","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125005","12.527","0.0004","12.6173","0.0005","21.1768","0.0008","79.505","0.003","89.404","0.003","60.709","0.004","2858.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sn{B(NArCH)2}2(SiH2Ph)","","- C58 H80 B2 N4 Si Sn -","- C58 H80 B2 N4 Si Sn -","- C116 H160 B4 N8 Si2 Sn2 -","2","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0658","0.0614","","0.0767","0.0721","0.0712","","","","","","1.1063","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125006","14.136","0.0002","16.8914","0.0002","25.9133","0.0004","90","","99.1667","0.0012","90","","6108.48","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sn{B(NArCH)2}2(H)(BH2NMe3)","","- C55 H84 B3 N5 Sn -","- C55 H84 B3 N5 Sn -","- C220 H336 B12 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.043","0.0412","","0.0505","0.0492","0.0488","","","","","","1.0796","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125007","21.22087","0.00016","12.54026","0.00011","19.63737","0.00017","90","","97.8858","0.0008","90","","5176.39","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Sn{B(NArCH)2}2(OH)(H)","","- C52 H74 B2 N4 O Sn -","- C52 H74 B2 N4 O Sn -","- C208 H296 B8 N16 O4 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.54184","CuKα","","0.05","0.0491","","0.0464","0.0461","0.0459","","","","","","1.1057","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125008","21.2882","0.0003","12.5521","0.0002","19.6851","0.0002","90","","98.1681","0.0013","90","","5206.73","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H75 B2 N5 Sn -","- C52 H75 B2 N5 Sn -","- C208 H300 B8 N20 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.054","0.0515","","0.1147","0.1133","0.1147","","","","","","1.1366","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125009","14.0818","0.0003","12.3113","0.0002","15.8745","0.0002","90","","99.2666","0.0015","90","","2716.17","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Sn{B(NArCH)2}(NH2)]2","","- C52 H75 B2 N6 Sn2 -","- C52 H75 B2 N6 Sn2 -","- C104 H150 B4 N12 Sn4 -","2","0.5","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0232","0.0223","","0.0236","0.0233","0.0231","","","","","","1.0475","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125010","17.8585","0.0001","43.5512","0.0002","19.1937","0.0001","90","","117.11","0.0003","90","","13288","0.12","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C55 H77 B2 K N5 Sn -","- C55 H77 B2 K N5 Sn -","- C440 H616 B16 K8 N40 Sn8 -","8","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.0941","0.0576","","0.1812","0.1433","0.1812","","","","","","0.9674","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125011","24.6958","0.0002","14.9348","0.0001","33.1882","0.0004","90","","94.4855","0.0009","90","","12203.2","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H144 N8 Sn10.81 -","- C104 H144 B4 N8 Sn10.8087 -","- C416 H576 B16 N32 Sn43.2348 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.7107","MoKα","","0.0625","0.0465","","0.0985","0.0871","0.098","","","","","","1","","","","has coordinates,has disorder","182495","2020-10-21","18:00:00",""
"4125012","11.3674","0.0001","18.7715","0.0001","24.657","0.0002","90","","90","","90","","5261.39","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sn{BN2(Ar)2C2H2}Cl2","","- C52 H72 B2 Cl2 N4 Sn -","- C52 H72 B2 Cl2 N4 Sn -","- C208 H288 B8 Cl8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.038","0.0328","","0.0391","0.034","0.0329","","","","","","0.9499","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125013","15.5841","0.0002","12.2901","0.0001","18.1568","0.0002","90","","99.2133","0.001","90","","3432.71","0.07","150","","150","","","","","","","",".?","4","P 1 21/n 1","-P 2yn","14","","Si(NDipp)(SiMe3)Si(SiMe3)3(NH2)H","","- C24 H56 N2 Si6 -","- C24 H56 N2 Si6 -","- C96 H224 N8 Si24 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0313","0.0268","","0.0303","0.0283","0.0278","","","","","","1.0878","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125014","14.7357","0.0004","9.6701","0.0002","18.1354","0.0005","90","","113.934","0.003","90","","2362.01","0.12","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 B F20 K -","- C24 B F20 K -","- C96 B4 F80 K4 -","4","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0489","0.0467","","0.1192","0.1172","0.1192","","","","","","0.9923","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125015","11.3662","0.0001","19.9462","0.0002","20.7654","0.0003","90","","91.3439","0.001","90","","4706.48","0.09","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C47 H72 B N3 Si Sn -","- C47 H72 B N3 Si Sn -","- C188 H288 B4 N12 Si4 Sn4 -","4","2","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","1.5418","CuKα","","0.0489","0.0483","","0.0518","0.0515","0.0514","","","","","","1.0186","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125016","9.893","0.001","12.1163","0.0011","16.2448","0.0015","96.775","0.007","101.149","0.008","95.448","0.008","1883.2","0.3","193","","","","","","","","","","see text","3","P -1","-P 1","2","","","","- C90 H74 I4 -","- C90 H74 I4 -","- C90 H74 I4 -","1","0.5","","Dumslaff, Tim; Yang, Bo; Maghsoumi, Ali; Velpula, Gangamallaiah; Mali, Kunal S.; Castiglioni, Chiara; De Feyter, Steven; Tommasini, Matteo; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","Adding Four Extra K-Regions to Hexa-peri-hexabenzocoronene.","Journal of the American Chemical Society","2016","138","14","4726","4729","10.1021/jacs.6b01976","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4125017","5.633","0.002","16.777","0.007","21.917","0.008","90","","90","","90","","2071.3","1.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br O3 -","- C23 H25 Br O3 -","- C92 H100 Br4 O12 -","4","1","","Amador, Adrian G.; Sherbrook, Evan M.; Yoon, Tehshik P.","Enantioselective Photocatalytic [3 + 2] Cycloadditions of Aryl Cyclopropyl Ketones.","Journal of the American Chemical Society","2016","138","14","4722","4725","10.1021/jacs.6b01728","","x-ray","0.71073","MoKα","","0.0449","0.0365","","","0.0858","0.0885","","","","","","1.068","","","","has coordinates","182505","2020-10-21","18:00:00",""
"4125018","11.7388","0.0001","11.7388","0.0001","27.4082","0.0004","90","","90","","120","","3270.83","0.06","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H20 F N5 O4 -","- C24 H20 F N5 O4 -","- C144 H120 F6 N30 O24 -","6","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.039","0.0382","","","0.0952","0.0961","","","","","","1.051","","","","has coordinates,has disorder","182503","2020-10-21","18:00:00",""
"4125019","7.9189","0.0002","8.9993","0.0002","9.5359","0.0003","86.5842","0.0012","82.182","0.0011","76.2332","0.0011","653.65","0.03","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C24 H28 N8 O6 -","2","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.0463","0.0391","","","0.0972","0.1022","","","","","","0.965","","","","has coordinates","182503","2020-10-21","18:00:00",""
"4125020","4.5885","0.0004","10.0115","0.0009","16.2053","0.0013","90","","90.413","0.005","90","","744.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 I N6 O3 -","- C10 H13 I N6 O3 -","- C20 H26 I2 N12 O6 -","2","1","","Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T.","Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2016","138","14","4818","4823","10.1021/jacs.6b00207","","","1.54178","CuKα","","0.0511","0.0355","","","0.0787","0.0864","","","","","","1.039","","","","has coordinates","182503","2020-10-21","18:00:00",""
"4125021","8.2767","0.0003","8.2767","0.0003","5.1763","0.0004","90","","90","","120","","307.09","0.03","120","2","120","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Sr3 Te Zn3 -","- O14 P2 Sr3 Te Zn3 -","- O14 P2 Sr3 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0217","0.0208","","","0.0447","0.0453","","","","","","1.096","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125022","8.4744","0.0003","8.4744","0.0003","5.2818","0.0004","90","","90","","120","","328.5","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ba3 O14 P2 Te Zn3 -","- Ba3 O14 P2 Te Zn3 -","- Ba3 O14 P2 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0161","0.0161","","","0.0375","0.0375","","","","","","1.174","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125023","8.3831","0.0003","8.3831","0.0003","5.193","0.0004","90","","90","","120","","316.05","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Pb3 Te Zn3 -","- O14 P2 Pb3 Te Zn3 -","- O14 P2 Pb3 Te Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0208","0.0206","","","0.0531","0.0533","","","","","","1.095","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125024","8.4072","0.0004","8.4072","0.0004","5.2158","0.0005","90","","90","","120","","319.27","0.04","296","2","296","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Mg3 O14 P2 Pb3 Te -","- Mg3 O14 P2 Pb3 Te -","- Mg3 O14 P2 Pb3 Te -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0144","0.014","","","0.0328","0.033","","","","","","0.958","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125025","8.4151","0.0003","8.4151","0.0003","5.17","0.0004","90","","90","","120","","317.06","0.03","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 P2 Pb3 W Zn3 -","- O14 P2 Pb3 W Zn3 -","- O14 P2 Pb3 W Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.017","0.017","","","0.0402","0.0402","","","","","","1.197","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125026","8.608","0.002","8.608","0.002","5.186","0.003","90","","90","","120","","332.8","0.2","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- O14 Pb3 Te V2 Zn3 -","- O14 Pb3 Te V2 Zn3 -","- O14 Pb3 Te V2 Zn3 -","1","0.166667","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family.","Journal of the American Chemical Society","2016","138","14","4984","4989","10.1021/jacs.6b02203","","","0.71073","MoKα","","0.0429","0.0425","","","0.0974","0.0977","","","","","","1.152","","","","has coordinates","182504","2020-10-21","18:00:00",""
"4125027","6.4872","0.0004","18.0297","0.0012","8.1708","0.0006","90","","90.0076","0.0017","90","","955.68","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 S -","- C25 H22 S -","- C50 H44 S2 -","2","1","","Wang, Yi-Ming; Buchwald, Stephen L.","Enantioselective CuH-Catalyzed Hydroallylation of Vinylarenes.","Journal of the American Chemical Society","2016","138","15","5024","5027","10.1021/jacs.6b02527","","","0.71073","MoKα","","0.0311","0.0303","","","0.0802","0.081","","","","","","1.049","","","","has coordinates,has disorder","182498","2020-10-21","18:00:00",""
"4125028","8.3686","0.0004","25.6303","0.0012","9.8925","0.0004","90","","90.036","0.003","90","","2121.84","0.17","90","2","90","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","TerarylB2O4-1","","- C30 H16 B2 O4 -","- C30 H16 B2 O4 -","- C120 H64 B8 O16 -","4","1","","Katayama, Takazumi; Nakatsuka, Soichiro; Hirai, Hiroki; Yasuda, Nobuhiro; Kumar, Jatish; Kawai, Tsuyoshi; Hatakeyama, Takuji","Two-Step Synthesis of Boron-Fused Double Helicenes.","Journal of the American Chemical Society","2016","138","16","5210","5213","10.1021/jacs.6b01674","","","0.78202","synchrotron","","0.0537","0.0342","","","0.0789","0.095","","","","","","1.062","","","","has coordinates","182500","2020-10-21","18:00:00",""
"4125029","6.0162","0.0003","17.8089","0.0007","16.1195","0.0005","90","","94.191","0.003","90","","1722.46","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 O Si -","- C17 H24 O Si -","- C68 H96 O4 Si4 -","4","2","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Ruthenium-BINAP Catalyzed Alcohol C-H tert-Prenylation via 1,3-Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.","Journal of the American Chemical Society","2016","138","16","5238","5241","10.1021/jacs.6b02279","","","1.54184","CuKα","","0.0529","0.043","","","0.103","0.1107","","","","","","1.03","","","","has coordinates","182499","2020-10-21","18:00:00",""
"4125030","6.0238","0.0003","8.4261","0.0005","32.0021","0.0009","90","","90","","90","","1624.34","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O2 Si -","- C16 H24 O2 Si -","- C64 H96 O8 Si4 -","4","1","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Ruthenium-BINAP Catalyzed Alcohol C-H tert-Prenylation via 1,3-Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.","Journal of the American Chemical Society","2016","138","16","5238","5241","10.1021/jacs.6b02279","","","1.54184","CuKα","","0.0237","0.0234","","","0.0615","0.0618","","","","","","1.048","","","","has coordinates","182499","2020-10-21","18:00:00",""
"4125031","37.726","0.004","37.726","0.004","37.726","0.004","90","","90","","90","","53694","10","296","2","296","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C240 H0 I0 O28 Zn10 -","- C240 O28 Zn10 -","- C960 O112 Zn40 -","4","0.0416667","","Zhang, Qiongqiong; Zhang, Cankun; Cao, Lingyun; Wang, Zi; An, Bing; Lin, Zekai; Huang, Ruiyun; Zhang, Zhiming; Wang, Cheng; Lin, Wenbin","Förster Energy Transport in Metal-Organic Frameworks Is Beyond Step-by-Step Hopping.","Journal of the American Chemical Society","2016","138","16","5308","5315","10.1021/jacs.6b01345","","","0.41328","","","0.1399","0.1266","","","0.386","0.3964","","","","","","1.681","","","","has coordinates","182501","2020-10-21","18:00:00",""
"4125032","35.755","0.004","35.755","0.004","35.755","0.004","90","","90","","90","","45710","9","293","2","293","2","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- C60 O13 Zn4 -","- C60 O13 Zn4 -","- C480 O104 Zn32 -","8","0.333333","","Zhang, Qiongqiong; Zhang, Cankun; Cao, Lingyun; Wang, Zi; An, Bing; Lin, Zekai; Huang, Ruiyun; Zhang, Zhiming; Wang, Cheng; Lin, Wenbin","Förster Energy Transport in Metal-Organic Frameworks Is Beyond Step-by-Step Hopping.","Journal of the American Chemical Society","2016","138","16","5308","5315","10.1021/jacs.6b01345","","","0.41328","","","0.0625","0.0605","","","0.1506","0.1534","","","","","","1.353","","","","has coordinates","182501","2020-10-21","18:00:00",""
"4125033","16.6101","0.0003","11.2973","0.0002","9.2725","0.0001","90","","90","","90","","1739.98","0.05","280","","280","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tetra(n-butyl)ammonium silver(I) bis(dicyanoargentate)","","- C12 H20 Ag3 N5 -","- C12 H20 Ag3 N5 -","- C48 H80 Ag12 N20 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0268","0.0258","","0.067","0.0661","0.067","","","","","","0.951","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125034","16.2798","0.0002","13.9248","0.0002","18.0439","0.0002","90","","106.082","0.0005","90","","3930.35","0.09","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetra(n-butylammonium) cadmium dicyanoargentate","","- C26 H36 Ag5 Cd2 N11 -","- C26 H36 Ag5 Cd2 N11 -","- C104 H144 Ag20 Cd8 N44 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.0251","0.022","","0.0504","0.0493","0.0504","","","","","","1.0249","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125035","27.9505","0.0006","15.0898","0.0004","13.4803","0.0003","90","","96.629","0.002","90","","5647.5","0.2","30","","30","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphosphoranylidene)ammonium copper dicyanoaurate ethanolate","","- C50 H42 Au5 Cu2 N11 O2 P2 -","- C50 H42 Au5 Cu2 N11 O2 P2 -","- C200 H168 Au20 Cu8 N44 O8 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.6889","Synchrotron","","0.046","0.0372","","0.0898","0.0839","0.0898","","","","","","0.9915","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125036","28.37","0.0003","15.6843","0.0002","13.9176","0.0001","90","","99.6092","0.001","90","","6105.94","0.11","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphosphoranylidene)ammonium manganese dicyanoargentate ethanolate","","- C50 H42 Ag5 Mn2 N11 O2 P2 -","- C50 H42 Ag5 Mn2 N11 O2 P2 -","- C200 H168 Ag20 Mn8 N44 O8 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0351","0.0282","","0.0718","0.0673","0.0718","","","","","","1.0497","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125037","28.5577","0.0008","15.835","0.0004","13.9531","0.0004","90","","99.31","0.003","90","","6226.6","0.3","282","","282","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoargentate ethanolate","","- C50 H42 Ag5 Cd2 N11 O2 P2 -","- C50 H42 Ag5 Cd2 N11 O2 P2 -","- C200 H168 Ag20 Cd8 N44 O8 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.5418","CuKα","","0.0452","0.04","","0.1212","0.1148","0.1212","","","","","","0.958","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125038","21.7394","0.0003","21.7394","0.0003","21.7394","0.0003","90","","90","","90","","10274.1","0.2","150","","150","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate ethanolate","","- C48 H48.87 Ag3 Cd N7 O3.44 P2 -","- C48 H48.873 Ag3 Cd N7 O3.437 P2 -","- C384 H390.984 Ag24 Cd8 N56 O27.496 P16 -","8","0.333333","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.049","0.0377","","0.0875","0.082","0.0875","","","","","","1.067","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125039","16.7035","0.0003","12.5777","0.0003","20.6707","0.0004","90","","92.5382","0.001","90","","4338.48","0.15","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(triphenylphosphoranylidene)ammonium manganese dicyanoaurate","","- C42 H30 Au3 Mn N7 P2 -","- C42 H30 Au3 Mn N7 P2 -","- C168 H120 Au12 Mn4 N28 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.0435","0.0312","","0.0717","0.0668","0.0717","","","","","","0.9881","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125040","16.8455","0.0003","12.7383","0.0003","20.8965","0.0003","90","","92.3725","0.0016","90","","4480.19","0.15","292","","292","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate","","- C42 H30 Au3 Cd N7 P2 -","- C42 H30 Au3 Cd N7 P2 -","- C168 H120 Au12 Cd4 N28 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.027","0.0226","","0.0549","0.0525","0.0549","","","","","","0.9997","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125041","9.7335","0.0003","11.0381","0.0005","17.0129","0.0005","73.058","0.003","81.926","0.002","79.666","0.003","1712.6","0.11","280","0.2","280","0.2","","","","","","","","5","P -1","-P 1","2","","bis(triphenylphosphoranylidene)ammonium dicyanoaurate","","- C38 H30 Au N3 P2 -","- C38 H30 Au N3 P2 -","- C76 H60 Au2 N6 P4 -","2","1","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.022","0.0207","","0.0534","0.0524","0.0533","","","","","","0.9995","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125042","9.7325","0.001","10.9975","0.0014","17.099","0.002","73.5","0.011","82.138","0.009","80.19","0.01","1721.6","0.4","280","0.4","280","0.4","","","","","","","","5","P -1","-P 1","2","","bis(triphenylphosphoranylidene)ammonium dicyanoargentate","","- C38 H30 Ag N3 P2 -","- C38 H30.0005 Ag N3 P2 -","- C76 H60.001 Ag2 N6 P4 -","2","1","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.0522","0.0333","","0.0852","0.0803","0.0852","","","","","","0.7792","","","","has coordinates,has disorder","183564","2020-10-21","18:00:00",""
"4125043","9.2263","0.0012","12.2376","0.0016","15.729","0.002","67.311","0.002","76.135","0.002","84.352","0.002","1590.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H102 Cl2 P2 Pd -","- C64 H102 Cl2 P2 Pd -","- C64 H102 Cl2 P2 Pd -","1","0.5","","Reid, William B.; Spillane, Jesse J.; Krause, Sarah B.; Watson, Donald A.","Direct Synthesis of Alkenyl Boronic Esters from Unfunctionalized Alkenes: A Boryl-Heck Reaction.","Journal of the American Chemical Society","2016","138","17","5539","5542","10.1021/jacs.6b02914","","","0.71073","MoKα","","0.0418","0.0349","","","0.0826","0.0865","","","","","","1.038","","","","has coordinates","183577","2020-10-21","18:00:00",""
"4125044","7.7614","0.0004","7.9275","0.0004","12.9954","0.0006","88.676","0.002","77.819","0.002","80.925","0.002","771.76","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C32 H36 N8 O4 -","2","1","","Zha, R. Helen; de Waal, Bas F. M.; Lutz, Martin; Teunissen, Abraham J. P.; Meijer, E. W.","End Groups of Functionalized Siloxane Oligomers Direct Block-Copolymeric or Liquid-Crystalline Self-Assembly Behavior.","Journal of the American Chemical Society","2016","138","17","5693","5698","10.1021/jacs.6b02172","","","0.71073","MoKα","","0.0382","0.0347","","","0.0889","0.0914","","","","","","1.051","","","","has coordinates","183578","2020-10-21","18:00:00",""
"4125045","18.6699","0.0009","18.7951","0.0009","33.5586","0.0016","90","","94.656","0.002","90","","11736.9","1","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C235 H215 N33 O57 -","- C235 H215 N33 O57 -","- C470 H430 N66 O114 -","2","1","","Nalluri, Siva Krishna Mohan; Liu, Zhichang; Wu, Yilei; Hermann, Keith R.; Samanta, Avik; Kim, Dong Jun; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Stoddart, J. Fraser","Chiral Redox-Active Isosceles Triangles.","Journal of the American Chemical Society","2016","138","18","5968","5977","10.1021/jacs.6b02086","","","1.54178","CuKα","","0.0825","0.0703","","","0.1912","0.2023","","","","","","1.055","","","","has coordinates,has disorder","183566","2020-10-21","18:00:00",""
"4125046","9.2311","0.0004","18.4418","0.0007","37.1578","0.0014","90","","90","","90","","6325.7","0.4","100","2","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H56 Br8 N6 O12 -","- C64 H56 Br8 N6 O12 -","- C256 H224 Br32 N24 O48 -","4","1","","Nalluri, Siva Krishna Mohan; Liu, Zhichang; Wu, Yilei; Hermann, Keith R.; Samanta, Avik; Kim, Dong Jun; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Stoddart, J. Fraser","Chiral Redox-Active Isosceles Triangles.","Journal of the American Chemical Society","2016","138","18","5968","5977","10.1021/jacs.6b02086","","","1.54178","CuKα","","0.1038","0.1034","","","0.2685","0.2688","","","","","","1.108","","","","has coordinates,has disorder","183566","2020-10-21","18:00:00",""
"4125047","10.9429","0.0018","6.4395","0.0012","13.07","0.003","90","","102.48","0.006","90","","899.2","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C36 H60 O4 Si2 -","2","1","","Johnson, Trevor C.; Chin, Matthew R.; Han, Tianxu; Shen, John Paul; Rana, Tariq; Siegel, Dionicio","Synthesis of Eupalinilide E, a Promoter of Human Hematopoietic Stem and Progenitor Cell Expansion.","Journal of the American Chemical Society","2016","138","18","6068","6073","10.1021/jacs.6b03055","","","0.71073","MoKα","","0.0926","0.0606","","","0.1078","0.1184","","","","","","1.062","","","","has coordinates","183565","2020-10-21","18:00:00",""
"4125048","10.8442","0.001","10.9095","0.0012","19.879","0.002","76.875","0.006","76.263","0.006","78.772","0.006","2200.1","0.4","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H74 Ce N3 O2 Si2 -","- C41 H74 Ce N3 O2 Si2 -","- C82 H148 Ce2 N6 O4 Si4 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0553","0.0484","","","0.1132","0.122","","","","","","1.102","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125049","12.4517","0.0008","13.3196","0.0009","15.2765","0.0017","97.319","0.004","102.877","0.004","114.368","0.003","2180.2","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H140 Ce2 I2 N12 Si8 -","- C57 H140 Ce2 I2 N12 Si8 -","- C57 H140 Ce2 I2 N12 Si8 -","1","0.5","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.028","0.0239","","","0.0561","0.06","","","","","","1.135","","","","has coordinates,has disorder","183567","2020-10-21","18:00:00",""
"4125050","13.6334","0.0004","14.3685","0.0004","16.3214","0.0005","111.454","0.001","93.753","0.001","110.532","0.001","2716.95","0.14","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H82 Ce N7 Si6 -","- C32 H82 Ce N7 Si6 -","- C64 H164 Ce2 N14 Si12 -","2","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0191","0.0174","","","0.0428","0.0434","","","","","","1.069","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125051","14.627","0.0003","21.5464","0.0005","16.9923","0.0004","90","","106.141","0.001","90","","5144.2","0.2","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H85 Ce N6 O Si4 -","- C40 H85 Ce N6 O Si4 -","- C160 H340 Ce4 N24 O4 Si16 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0206","0.0182","","","0.0436","0.0452","","","","","","1.06","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125052","14.4193","0.0004","22.9467","0.0007","17.0665","0.0005","90","","97.255","0.001","90","","5601.7","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H96 Ce N9 Si6 -","- C39 H96 Ce N9 Si6 -","- C156 H384 Ce4 N36 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0709","0.056","","","0.1244","0.133","","","","","","1.036","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125053","23.2747","0.0016","18.2692","0.0012","24.82","0.0017","90","","115.313","0.003","90","","9540.4","1.1","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73 H112 B Ce Cl4 F24 N9 Si6 -","- C73 H112 B Ce Cl4 F24 N9 Si6 -","- C292 H448 B4 Ce4 Cl16 F96 N36 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0964","0.058","","","0.1444","0.1652","","","","","","1.021","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125054","15.9152","0.0012","15.6395","0.0011","18.7462","0.0013","90","","91.845","0.004","90","","4663.6","0.6","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H76 Ce Cl3 N4 Si6 -","- C27 H76 Ce Cl3 N4 Si6 -","- C108 H304 Ce4 Cl12 N16 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","Cerium Photosensitizers: Structure-Function Relationships and Applications in Photocatalytic Aryl Coupling Reactions.","Journal of the American Chemical Society","2016","138","18","5984","5993","10.1021/jacs.6b02248","","","0.71073","MoKα","","0.0399","0.0364","","","0.1218","0.1237","","","","","","1.192","","","","has coordinates","183567","2020-10-21","18:00:00",""
"4125055","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","300","","300","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.553 O25.776 Si6 -","- Nd9.552 O25.776 Si6 -","- Nd9.552 O25.776 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0655","0.0376","","","0.0366","0.0386","","","","1.9","1.9","1.74","","","","has coordinates","182469","2020-10-21","18:00:00",""
"4125056","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","573","","573","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.606 O25.924 Si6 -","- Nd9.608 O25.924 Si6 -","- Nd9.608 O25.924 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.1243","0.0625","","","0.0515","0.0556","","","","2.24","2.24","1.99","","","","has coordinates","182470","2020-10-21","18:00:00",""
"4125057","9.5611","","9.5611","","7.0607","","90","","90","","120","","558.977","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al1.5 Nd9.959 O26 Si4.5 -","- Al1.5 Nd9.96 O26 Si4.5 -","- Al1.5 Nd9.96 O26 Si4.5 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0639","0.0361","","","0.0668","0.0702","","","","1.99","1.99","1.83","","","","has coordinates","182471","2020-10-21","18:00:00",""
"4125058","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","4","","4","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.605 O25.789 Si6 -","- Nd9.604 O25.79 Si6 -","- Nd9.604 O25.79 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0572","0.0391","","","0.0772","0.08","","","","2.08","2.08","1.95","","","","has coordinates","182472","2020-10-21","18:00:00",""
"4125059","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","100","","100","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.58 O25.84 Si6 -","- Nd9.58 O25.84 Si6 -","- Nd9.58 O25.84 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0667","0.0405","","","0.0434","0.0453","","","","2.19","2.19","2.02","","","","has coordinates","182473","2020-10-21","18:00:00",""
"4125060","9.553","","9.553","","7.0496","","90","","90","","120","","557.153","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al Nd9.906 O26 Si5 -","- Al0.9996 Nd9.908 O26 Si5.0004 -","- Al0.9996 Nd9.908 O26 Si5.0004 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0605","0.0437","","","0.0842","0.0863","","","","2.32","2.32","2.17","","","","has coordinates","182474","2020-10-21","18:00:00",""
"4125061","9.5515","","9.5515","","7.042","","90","","90","","120","","556.378","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.652 O26 Si5.5 -","- Al0.4998 Nd9.652 O26 Si5.5002 -","- Al0.4998 Nd9.652 O26 Si5.5002 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.0917","0.0435","","","0.0448","0.0493","","","","1.93","1.93","1.76","","","","has coordinates","182475","2020-10-21","18:00:00",""
"4125062","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","773","","773","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.569 O25.905 Si6 -","- Nd9.568 O25.904 Si6 -","- Nd9.568 O25.904 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J.","Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes.","Journal of the American Chemical Society","2016","138","13","4468","4483","10.1021/jacs.5b13409","","neutron","0.71069","neutron","","0.1287","0.0579","","","0.0498","0.0544","","","","2.23","2.23","1.94","","","","has coordinates","182476","2020-10-21","18:00:00",""
"4125063","6.0559","0.0008","12.211","0.0013","16.663","0.002","104.66","0.003","95.819","0.004","103.157","0.003","1144.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B F10 N -","- C24 H24 B F10 N -","- C48 H48 B2 F20 N2 -","2","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.1191","0.0572","","","0.095","0.113","","","","","","1.021","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125064","10.9865","0.0002","11.3039","0.0002","12.1268","0.0003","111.608","0.001","90.925","0.001","116.464","0.001","1223.73","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 B F10 N O -","- C24 H26 B F10 N O -","- C48 H52 B2 F20 N2 O2 -","2","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.063","0.05","","","0.1099","0.1211","","","","","","1.017","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125065","9.3348","0.0004","18.8671","0.0007","15.8074","0.0006","90","","91.077","0.001","90","","2783.52","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 B F10 N -","- C29 H30 B F10 N -","- C116 H120 B4 F40 N4 -","4","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.0438","0.0353","","","0.0863","0.0917","","","","","","1.051","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125066","12.3941","0.0004","19.3768","0.0006","17.7912","0.0007","90","","99.37","0.001","90","","4215.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 B2 F20 N -","- C36 H25 B2 F20 N -","- C144 H100 B8 F80 N4 -","4","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.1237","0.0891","","","0.2212","0.2379","","","","","","1.103","","","","has coordinates,has disorder","182477","2020-10-21","18:00:00",""
"4125067","36.0335","0.0007","8.0228","0.0002","19.5293","0.0005","90","","121.688","0.001","90","","4804.1","0.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 B F10 N -","- C24 H26 B F10 N -","- C192 H208 B8 F80 N8 -","8","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.073","0.0535","","","0.099","0.1125","","","","","","1.098","","","","has coordinates","182477","2020-10-21","18:00:00",""
"4125068","12.633","0.0004","22.0052","0.0007","17.6449","0.0005","90","","104.135","0.001","90","","4756.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 B2 F20 N2 O2 -","- C48 H48 B2 F20 N2 O2 -","- C192 H192 B8 F80 N8 O8 -","4","1","","Wang, Tongdao; Kehr, Gerald; Liu, Lei; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","Selective Oxidation of an Active Intramolecular Amine/Borane Frustrated Lewis Pair with Dioxygen.","Journal of the American Chemical Society","2016","138","13","4302","4305","10.1021/jacs.6b00325","","","0.71073","MoKα","","0.0556","0.0378","","","0.0808","0.0895","","","","","","1.028","","","","has coordinates,has disorder","182477","2020-10-21","18:00:00",""
"4125069","9.548","0.002","10.705","0.003","12.059","0.003","87.745","0.003","67.638","0.002","83.773","0.003","1133.1","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H23 F3 N O5 P -","- C22 H23 F3 N O5 P -","- C44 H46 F6 N2 O10 P2 -","2","2","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0396","0.0395","","","0.1029","0.103","","","","","","1.038","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125070","10.73","0.0014","14.3916","0.0019","18.13","0.002","90","","90","","90","","2799.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H27 N2 O4 Rh -","- C34 H27 N2 O4 Rh -","- C136 H108 N8 O16 Rh4 -","4","1","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0178","0.0175","","","0.0451","0.0453","","","","","","1.05","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125071","5.73","0.0008","20.761","0.003","8.5902","0.0012","90","","100.442","0.002","90","","1005","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O4 S -","- C24 H20 N2 O4 S -","- C48 H40 N4 O8 S2 -","2","1","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0663","0.064","","","0.1806","0.1849","","","","","","1.517","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125072","4.358","0.0009","14.881","0.003","7.59","0.0015","90","","90","","90","","492.22","0.17","153","2","153","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- Ba Hg Se2 -","- Ba Hg Se2 -","- Ba4 Hg4 Se8 -","4","1","","Li, Chao; Yin, Wenlong; Gong, Pifu; Li, Xiaoshuang; Zhou, Molin; Mar, Arthur; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Trigonal Planar [HgSe3](4-) Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability.","Journal of the American Chemical Society","2016","138","19","6135","6138","10.1021/jacs.6b03107","","","0.71073","MoKα","","0.0883","0.0679","","","0.133","0.1445","","","","","","0.99","","","","has coordinates","183575","2020-10-21","18:00:00",""
"4125073","21.179","0.005","18.427","0.004","14.466","0.003","90","","99.82","0.003","90","","5563","2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C256 H320 B16 O16 -","8","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0984","0.0737","","","0.1698","0.1887","","","","","","1.103","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125074","9.147","0.003","9.787","0.003","31.937","0.01","90","","90","","90","","2859.1","1.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C128 H160 B8 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.088","0.0749","","","0.184","0.1978","","","","","","1.117","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125075","8.818","0.003","36.059","0.011","8.85","0.003","90","","90.252","0.004","90","","2814","1.6","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C128 H160 B8 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0821","0.0688","","","0.1603","0.1703","","","","","","1.143","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125076","15.857","0.003","10.022","0.0016","19.656","0.004","90","","111.004","0.003","90","","2916.2","0.9","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C128 H156 B8 Br4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0712","0.056","","","0.1283","0.1387","","","","","","1.107","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125077","11.783","0.004","15.689","0.005","15.773","0.005","90","","99.815","0.005","90","","2873.2","1.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C128 H156 B8 Br4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0567","0.0413","","","0.0904","0.0985","","","","","","1.007","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125078","23.103","0.003","16.332","0.0019","15.614","0.0019","90","","99.64","0.002","90","","5808.3","1.2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C256 H312 B16 Br8 O16 -","8","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0494","0.0389","","","0.0881","0.0943","","","","","","0.967","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125079","11.801","0.002","15.554","0.003","16.698","0.003","90","","104.974","0.003","90","","2960.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 B2 Br O2 -","- C32 H39 B2 Br O2 -","- C128 H156 B8 Br4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0728","0.0543","","","0.1249","0.1366","","","","","","1.074","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125080","9.667","0.003","11.589","0.004","14.115","0.004","90","","96.22","0.005","90","","1572","0.9","93","2","93","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H45 B2 N O2 -","- C34 H45 B2 N O2 -","- C68 H90 B4 N2 O4 -","2","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0659","0.0471","","","0.0963","0.106","","","","","","0.946","","","","has coordinates,has disorder","183569","2020-10-21","18:00:00",""
"4125081","21.448","0.004","18.667","0.004","14.378","0.003","90","","100.147","0.003","90","","5666","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 B2 F O2 -","- C32 H39 B2 F O2 -","- C256 H312 B16 F8 O16 -","8","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.077","0.0542","","","0.1275","0.1445","","","","","","1.044","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125082","8.705","0.003","35.874","0.012","9.064","0.003","90","","90.276","0.003","90","","2830.5","1.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 B2 F O2 -","- C32 H39 B2 F O2 -","- C128 H156 B8 F4 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0993","0.0794","","","0.186","0.2011","","","","","","1.148","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125083","14.316","0.003","14.506","0.002","15.944","0.003","90.042","0.002","112.231","0.003","94.799","0.002","3052.3","1","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 B2 F3 O2 -","- C33 H39 B2 F3 O2 -","- C132 H156 B8 F12 O8 -","4","2","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.1097","0.0611","","","0.1369","0.1676","","","","","","0.979","","","","has coordinates,has disorder","183569","2020-10-21","18:00:00",""
"4125084","8.4771","0.0016","12.1269","0.0017","16.329","0.003","70.166","0.008","81.088","0.009","69.721","0.008","1479.9","0.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 B2 F3 O2 -","- C33 H39 B2 F3 O2 -","- C66 H78 B4 F6 O4 -","2","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.0802","0.0491","","","0.116","0.1436","","","","","","0.977","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125085","15.935","0.003","13.013","0.003","17.978","0.004","90","","112.28","0.008","90","","3449.6","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Au N O P -","- C41 H19 Au N O P -","- C164 H76 Au4 N4 O4 P4 -","4","1","","Hong, Eugene Yau-Hin; Poon, Chun-Ting; Yam, Vivian Wing-Wah","A Phosphole Oxide-Containing Organogold(III) Complex for Solution-Processable Resistive Memory Devices with Ternary Memory Performances.","Journal of the American Chemical Society","2016","138","20","6368","6371","10.1021/jacs.6b02629","","","0.71073","MoKα","","0.0541","0.0342","","","0.084","0.0892","","","","","","1.092","","","","has coordinates,has disorder","183571","2020-10-21","18:00:00",""
"4125086","9.1983","0.001","16.7173","0.0018","13.7123","0.0015","90","","90.549","0.002","90","","2108.5","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C80 H88 N8 O24 S8 -","8","4","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","0.71073","MoKα","","0.0292","0.0285","","","0.0741","0.0746","","","","","","1.028","","","","has coordinates","183570","2020-10-21","18:00:00",""
"4125087","5.9854","0.0007","7.5004","0.0008","18.085","0.002","90","","97.565","0.004","90","","804.82","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O3 -","- C19 H17 Cl O3 -","- C38 H34 Cl2 O6 -","2","1","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","1.54178","CuKα","","0.0243","0.0233","","","0.058","0.0587","","","","","","1.031","","","","has coordinates","183570","2020-10-21","18:00:00",""
"4125088","5.8398","0.0002","21.5974","0.0008","23.1903","0.0008","90","","90","","90","","2924.86","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C132 H144 O36 -","12","3","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","1.54178","CuKα","","0.0428","0.0377","","","0.0929","0.0962","","","","","","1.054","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4125091","14.8855","0.0008","11.3406","0.0006","20.3764","0.0011","90","","94.041","0.0011","90","","3431.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 P2 -","- C45 H38 P2 -","- C180 H152 P8 -","4","1","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C.","A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion.","Journal of the American Chemical Society","2016","138","21","6731","6734","10.1021/jacs.6b03910","","","0.71073","MoKα","","0.0559","0.04","","","0.0927","0.1015","","","","","","1.039","","","","has coordinates,has disorder","183572","2020-10-21","18:00:00",""
"4125092","11.0044","0.0017","12.0737","0.0019","13.946","0.002","83.904","0.003","82.249","0.003","85.085","0.003","1820.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H59 K N5 O7 P -","- C33 H59 K N5 O7 P -","- C66 H118 K2 N10 O14 P2 -","2","1","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C.","A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion.","Journal of the American Chemical Society","2016","138","21","6731","6734","10.1021/jacs.6b03910","","","0.71073","MoKα","","0.03","0.0271","","","0.0684","0.0704","","","","","","1.037","","","","has coordinates","183572","2020-10-21","18:00:00",""
"4125093","6.0072","0.0005","10.1348","0.0009","10.3082","0.0009","90.002","0.002","89.996","0.002","83.296","0.002","623.29","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H19 N6 P S -","- C7 H19 N6 P S -","- C14 H38 N12 P2 S2 -","2","1","","Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C.","A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion.","Journal of the American Chemical Society","2016","138","21","6731","6734","10.1021/jacs.6b03910","","","0.71073","MoKα","","0.0293","0.0271","","","0.0722","0.0741","","","","","","1.048","","","","has coordinates","183572","2020-10-21","18:00:00",""
"4125094","10.1108","0.0002","12.5567","0.0002","12.7249","0.0009","91.518","0.006","110.105","0.008","113.487","0.008","1366.1","0.17","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 Cl2 O8 -","- C29 H36 Cl2 O8 -","- C58 H72 Cl4 O16 -","2","1","","Kaplan, Will; Khatri, Hem Raj; Nagorny, Pavel","Concise Enantioselective Total Synthesis of Cardiotonic Steroids 19-Hydroxysarmentogenin and Trewianin Aglycone.","Journal of the American Chemical Society","2016","138","22","7194","7198","10.1021/jacs.6b04029","","","1.54178","CuKα","","0.0687","0.0647","","","0.1875","0.1928","","","","","","1.139","","","","has coordinates","183568","2020-10-21","18:00:00",""
"4125095","26.4265","0.0007","11.8821","0.0003","19.8835","0.0005","90","","115.18","0.001","90","","5650.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2',4',5',7'-Tetrabromofluorescein N-ethoxy-2-methyl pyridinium salt","Eosine N-ethoxy-2-methyl pyridinium","","- C28 H19 Br4 N O6 -","- C28 H19 Br4 N O6 -","- C224 H152 Br32 N8 O48 -","8","1","","Quint, Valentin; Morlet-Savary, Fabrice; Lohier, Jean-François; Lalevée, Jacques; Gaumont, Annie-Claude; Lakhdar, Sami","Metal-Free, Visible Light-Photocatalyzed Synthesis of Benzo[b]phosphole Oxides: Synthetic and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","23","7436","7441","10.1021/jacs.6b04069","","","0.71073","MoKα","","0.0735","0.0556","","","0.1407","0.1523","","","","","","1.031","","","","has coordinates,has disorder","183573","2020-10-21","18:00:00",""
"4125096","3.9342","0.0005","27.324","0.003","9.9305","0.0014","90","","96.314","0.0015","90","","1061","0.2","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Li, Gang; Kuo, Jonathan L.; Han, Arthur; Abuyuan, Janine M.; Young, Lily C.; Norton, Jack R.; Palmer, Joshua H.","Radical Isomerization and Cycloisomerization Initiated by H• Transfer.","Journal of the American Chemical Society","2016","138","24","7698","7704","10.1021/jacs.6b03509","","","0.71073","MoKα","","0.0438","0.0409","","","0.1131","0.1158","","","","","","1.083","","","","has coordinates","184933","2020-10-21","18:00:00",""
"4125097","21.1775","0.0015","18.3158","0.0013","7.0825","0.0005","90","","93.269","0.002","90","","2742.7","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Br2 N S7 Si2 -","- C22 H19 Br2 N S6 Si2 -","- C88 H76 Br8 N4 S24 Si8 -","4","0.5","","Wang, Ying; Zhang, Hui; Pink, Maren; Olankitwanit, Arnon; Rajca, Suchada; Rajca, Andrzej","Radical Cation and Neutral Radical of Aza-thia[7]helicene with SOMO-HOMO Energy Level Inversion.","Journal of the American Chemical Society","2016","138","23","7298","7304","10.1021/jacs.6b01498","","","0.71073","MoKα","","0.0268","0.0227","","","0.0561","0.0578","","","","","","1.049","","","","has coordinates","183574","2020-10-21","18:00:00",""
"4125098","8.8452","0.0002","16.0629","0.0011","13.7551","0.0002","90","","90","","90","","1954.32","0.14","93","2","93","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H32 N6 O5 -","- C14 H32 N6 O5 -","- C56 H128 N24 O20 -","4","0.5","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0403","0.0359","","","0.086","0.0886","","","","","","1.078","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125099","11.543","0.0008","7.5993","0.0005","14.3503","0.001","90","","99.189","0.004","90","","1242.64","0.15","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H40 Li N5 O11 -","- C18 H40 Li N5 O11 -","- C36 H80 Li2 N10 O22 -","2","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","1.54178","CuKα","","0.0519","0.0342","","","0.0598","0.0653","","","","","","1.029","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125100","12.3264","0.0017","13.9962","0.0019","13.345","0.0018","90","","100.34","0.007","90","","2264.9","0.5","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 F6 N2 O2 -","- C21 H18 Br2 F6 N2 O2 -","- C84 H72 Br8 F24 N8 O8 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0609","0.044","","","0.082","0.0874","","","","","","1.067","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125101","8.1091","0.0011","9.773","0.0013","16.327","0.002","90","","90","","90","","1293.9","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N3 O3 -","- C10 H23 N3 O3 -","- C40 H92 N12 O12 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0503","0.0439","","","0.0859","0.0881","","","","","","1.167","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125102","10.8788","0.0003","8.3292","0.0002","15.9771","0.0011","90","","97.955","0.007","90","","1433.78","0.11","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 F6 N3 O2 P -","- C8 H18 F6 N3 O2 P -","- C32 H72 F24 N12 O8 P4 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0419","0.0393","","","0.1019","0.1037","","","","","","1.061","","","","has coordinates,has disorder","184930","2020-10-21","18:00:00",""
"4125103","11.6467","0.0009","10.9394","0.0005","11.9902","0.0009","90","","117.808","0.009","90","","1351.23","0.19","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 B F4 N2 O -","- C12 H15 B F4 N2 O -","- C48 H60 B4 F16 N8 O4 -","4","1","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","x-ray","0.71073","MoKα","","0.0862","0.0519","","","0.1067","0.1235","","","","","","1.032","","","","has coordinates","184931","2020-10-21","18:00:00",""
"4125104","6.6104","0.0004","9.5196","0.0007","10.5103","0.0007","93.681","0.006","98.829","0.004","91.89","0.005","651.6","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 B F4 N3 -","- C12 H12 B F4 N3 -","- C24 H24 B2 F8 N6 -","2","1","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","","0.71073","MoKα","","0.0638","0.0488","","","0.113","0.1237","","","","","","1.053","","","","has coordinates,has disorder","184931","2020-10-21","18:00:00",""
"4125105","10.4842","0.0012","10.524","0.0012","12.4159","0.0016","114.73","0.013","90.775","0.01","90.061","0.01","1244.1","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 B F5 N2 -","- C11 H12 B F5 N2 -","- C44 H48 B4 F20 N8 -","4","2","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","","0.71073","MoKα","","0.1508","0.1319","","","0.3859","0.4068","","","","","","1.556","","","","has coordinates","184931","2020-10-21","18:00:00",""
"4125106","10.153","0.002","10.7563","0.0017","12.182","0.0019","88.021","0.013","65.88","0.019","85.439","0.016","1210.4","0.4","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 B F4 N2 -","- C11 H13 B F4 N2 -","- C44 H52 B4 F16 N8 -","4","2","","Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.","New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.","Journal of the American Chemical Society","2016","138","25","7820","7823","10.1021/jacs.6b03366","","","0.71073","MoKα","","0.2269","0.1784","","","0.4191","0.4608","","","","","","1.316","","","","has coordinates","184931","2020-10-21","18:00:00",""
"4125107","10.0336","0.0006","9.9876","0.0006","21.8458","0.0015","90","","95.333","0.003","90","","2179.7","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl Cu I N -","- C20 H30 Cl Cu I N -","- C80 H120 Cl4 Cu4 I4 N4 -","4","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.0639","0.0563","","","0.1452","0.149","","","","","","1.149","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125108","13.7142","0.0005","15.7707","0.0007","15.8385","0.0007","88.698","0.002","87.417","0.002","82.569","0.002","3392.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","ImineCAACPdBiphenyl","","- C78 H68 Au B F20 N2 -","- C78 H68 Au B F20 N2 -","- C156 H136 Au2 B2 F40 N4 -","2","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.0446","0.0311","","","0.0586","0.0628","","","","","","1.013","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125109","10.0911","0.0007","18.5601","0.0014","19.6959","0.0014","106.828","0.002","94.902","0.002","98.618","0.002","3458.6","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Au Cl N2 -","- C36 H54 Au Cl N2 -","- C144 H216 Au4 Cl4 N8 -","4","2","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.0718","0.0405","","","0.0746","0.0836","","","","","","1.019","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125110","8.4234","0.0003","16.0108","0.0006","8.5636","0.0003","90","","101.32","0.002","90","","1132.47","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H36 Cl Cu N2 -","- C22 H36 Cl Cu N2 -","- C44 H72 Cl2 Cu2 N4 -","2","1","","Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.","Journal of the American Chemical Society","2016","138","25","7884","7887","10.1021/jacs.6b05221","","x-ray","0.71073","MoKα","","0.038","0.034","","","0.0796","0.0822","","","","","","1.021","","","","has coordinates","184932","2020-10-21","18:00:00",""
"4125111","6.3999","0.00018","18.9408","0.0006","11.3358","0.0004","90","","92.523","0.003","90","","1372.78","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 S -","- C13 H19 N3 S -","- C52 H76 N12 S4 -","4","2","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.0394","0.0347","","","0.0794","0.0819","","","","","","1.022","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125112","10.5978","0.0004","10.4507","0.0004","27.0588","0.001","90","","90","","90","","2996.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C112 H168 N24 O8 S8 -","8","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.0509","0.04","","","0.1021","0.1088","","","","","","1.001","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125113","13.7959","0.0004","13.3873","0.0004","8.3649","0.0002","90","","92.859","0.003","90","","1542.99","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F3 N3 S -","- C14 H18 F3 N3 S -","- C56 H72 F12 N12 S4 -","4","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.056","0.0431","","","0.1046","0.1108","","","","","","1.039","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125114","15.8157","0.0009","7.5474","0.0004","11.0448","0.0006","90","","91.419","0.005","90","","1317.98","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C52 H68 N12 S4 -","4","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.1348","0.0645","","","0.1062","0.1251","","","","","","1.018","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125115","7.9683","0.0002","10.4097","0.0003","22.0972","0.0008","90","","90","","90","","1832.91","0.1","185","","185","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C92 H96 N8 O12 -","4","1","","Allemann, Oliver; Brutsch, Manuela; Lukesh, 3rd, John C; Brody, Daniel M.; Boger, Dale L.","Synthesis of a Potent Vinblastine: Rationally Designed Added Benign Complexity.","Journal of the American Chemical Society","2016","138","27","8376","8379","10.1021/jacs.6b04330","","x-ray","0.71073","MoKα","","0.0469","0.0365","","","0.081","0.0863","","","","","","1.047","","","","has coordinates","187903","2020-10-21","18:00:00",""
"4125116","9.8718","0.0011","16.9815","0.0018","36.212","0.004","90","","97.081","0.002","90","","6024.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl7 N -","- C25 H38 Cl7 N -","- C200 H304 Cl56 N8 -","8","2","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0585","0.0388","","","0.0903","0.101","","","","","","1.028","","","","has coordinates,has disorder","187904","2020-10-21","18:00:00",""
"4125117","12.6127","0.0008","15.2311","0.001","17.9955","0.0011","69.5328","0.0015","88.0275","0.0013","88.8565","0.0013","3236.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H29 F3 N2 O5 S -","- C18.9999 H29 F2.9997 N2 O4.9997 S0.9999 -","- C113.999 H174 F17.9982 N12 O29.9982 S5.9994 -","6","3","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0527","0.0391","","","0.1002","0.1081","","","","","","1.025","","","","has coordinates,has disorder","187904","2020-10-21","18:00:00",""
"4125118","12.4987","0.0005","16.0655","0.0007","17.6184","0.0007","90","","94.9451","0.0009","90","","3524.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H63 N Si4 -","- C32 H63 N Si4 -","- C128 H252 N4 Si16 -","4","1","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0339","0.0286","","","0.0749","0.0784","","","","","","1.035","","","","has coordinates","187904","2020-10-21","18:00:00",""
"4125119","8.7865","0.0008","21.4221","0.0018","13.4402","0.0011","90","","94.5721","0.0017","90","","2521.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 F3 N2 O5 S -","- C25 H29 F3 N2 O5 S -","- C100 H116 F12 N8 O20 S4 -","4","1","","Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.","Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.","Journal of the American Chemical Society","2016","138","27","8639","8652","10.1021/jacs.6b04962","","","0.71073","MoKα","","0.0528","0.0419","","","0.102","0.1081","","","","","","1.058","","","","has coordinates","187904","2020-10-21","18:00:00",""
"4125120","7.1525","0.0004","23.0424","0.0018","11.829","0.0009","90","","90.688","0.006","90","","1949.4","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 N4 O Ru S -","- C14 H15 Cl4 N4 O Ru S -","- C56 H60 Cl16 N16 O4 Ru4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0768","0.0709","","","0.2195","0.2295","","","","","","1.035","","","","has coordinates","187905","2020-10-21","18:00:00",""
"4125121","7.8013","0.0002","10.8212","0.0004","25.017","0.0008","90","","95.03","0.002","90","","2103.79","0.12","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 F6 N2 O Ru S -","- C14 H15 Cl4 F6 N2 O Ru S -","- C56 H60 Cl16 F24 N8 O4 Ru4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0376","0.03","","","0.0745","0.0788","","","","","","1.032","","","","has coordinates,has disorder","187905","2020-10-21","18:00:00",""
"4125122","15.1499","0.0003","17.3913","0.0003","23.9791","0.0004","76.679","0.002","89.978","0.002","77.344","0.002","5990.2","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.5 H30 Cl5 N2 O Ru S -","- C26.5 H30 Cl5 N2 O Ru S -","- C212 H240 Cl40 N16 O8 Ru8 S8 -","8","4","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0575","0.0455","","","0.1381","0.1461","","","","","","1.014","","","","has coordinates,has disorder","187905","2020-10-21","18:00:00",""
"4125123","9.2004","0.0001","15.21","0.0003","15.6366","0.0002","71.257","0.001","73.832","0.001","72.534","0.002","1936.04","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H21 Cl4 N2 O Rh S -","- C14 H21 Cl4 N2 O Rh S -","- C56 H84 Cl16 N8 O4 Rh4 S4 -","4","2","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71075","MolybdenumKα","","0.0226","0.0216","","","0.054","0.0547","","","","","","1.053","","","","has coordinates","187905","2020-10-21","18:00:00",""
"4125124","7.1887","0.0002","22.9114","0.0007","11.8104","0.0003","90","","90.63","0.003","90","","1945.09","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 N4 O Rh S -","- C14 H15 Cl4 N4 O Rh S -","- C56 H60 Cl16 N16 O4 Rh4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71073","MoKα","","0.0499","0.0412","","","0.1105","0.1164","","","","","","1.079","","","","has coordinates","187905","2020-10-21","18:00:00",""
"4125125","7.7976","0.0004","10.7641","0.0006","25.0618","0.0016","90","","95.151","0.005","90","","2095","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl4 F6 N2 O Rh S -","- C14 H15 Cl4 F6 N2 O Rh S -","- C56 H60 Cl16 F24 N8 O4 Rh4 S4 -","4","1","","Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek","Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.","Journal of the American Chemical Society","2016","138","27","8432","8445","10.1021/jacs.6b02749","","","0.71073","MoKα","","0.0822","0.0779","","","0.2138","0.2171","","","","","","1.103","","","","has coordinates,has disorder","187905","2020-10-21","18:00:00",""
"4125126","12.0966","0.0009","12.7937","0.001","16.0697","0.0012","81.918","0.002","70.076","0.002","64.935","0.002","2117.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 I N O P -","- C22 H27 I N O P -","- C88 H108 I4 N4 O4 P4 -","4","2","","Yang, Youqing; Li, Ruirui; Zhao, Yue; Zhao, Dongbing; Shi, Zhuangzhi","Cu-Catalyzed Direct C6-Arylation of Indoles.","Journal of the American Chemical Society","2016","138","28","8734","8737","10.1021/jacs.6b05777","","","0.71073","MoKα","","0.0762","0.0707","","","0.2276","0.2302","","","","","","1.169","","","","has coordinates","187926","2020-10-21","18:00:00",""
"4125127","13.0319","0.0016","12.8304","0.0015","23.089","0.003","90","","90","","90","","3860.6","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H28 N O P -","- C22 H28 N O P -","- C176 H224 N8 O8 P8 -","8","1","","Yang, Youqing; Li, Ruirui; Zhao, Yue; Zhao, Dongbing; Shi, Zhuangzhi","Cu-Catalyzed Direct C6-Arylation of Indoles.","Journal of the American Chemical Society","2016","138","28","8734","8737","10.1021/jacs.6b05777","","","0.71073","MoKα","","0.0414","0.0371","","","0.096","0.0989","","","","","","1.06","","","","has coordinates","187926","2020-10-21","18:00:00",""
"4125128","4.581","0.016","20.94","0.06","21.9","0.07","90","","92.86","0.05","90","","2098","12","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","1","","Lahive, Ciaran W.; Deuss, Peter J.; Lancefield, Christopher S.; Sun, Zhuohua; Cordes, David B.; Young, Claire M.; Tran, Fanny; Slawin, Alexandra M. Z.; de Vries, Johannes G.; Kamer, Paul C. J.; Westwood, Nicholas J.; Barta, Katalin","Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization: Identification of Renewable Aromatics and a Lignin-Derived Solvent.","Journal of the American Chemical Society","2016","138","28","8900","8911","10.1021/jacs.6b04144","","","1.54187","CuKα","","0.1803","0.1345","","","0.3222","0.3809","","","","","","1.024","","","","has coordinates","187928","2020-10-21","18:00:00",""
"4125129","8.6085","0.001","26.787","0.003","7.8482","0.0009","90","","97.903","0.003","90","","1792.6","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Lahive, Ciaran W.; Deuss, Peter J.; Lancefield, Christopher S.; Sun, Zhuohua; Cordes, David B.; Young, Claire M.; Tran, Fanny; Slawin, Alexandra M. Z.; de Vries, Johannes G.; Kamer, Paul C. J.; Westwood, Nicholas J.; Barta, Katalin","Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization: Identification of Renewable Aromatics and a Lignin-Derived Solvent.","Journal of the American Chemical Society","2016","138","28","8900","8911","10.1021/jacs.6b04144","","","0.71075","MoKα","","0.0402","0.0349","","","0.0999","0.1022","","","","","","1.113","","","","has coordinates","187928","2020-10-21","18:00:00",""
"4125130","24.263","0.004","24.263","0.004","14.615","0.003","90","","90","","90","","8604","3","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H48 O40 Zr6 -","- C64 H48 O40 Zr6 -","- C128 H96 O80 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0852","0.0651","","","0.1488","0.1539","","","","","","1.007","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125131","24.25","0.005","24.25","0.005","15.232","0.003","90","","90","","90","","8957","3","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C56 H24 N8 O48 Zr6 -","- C56 H24 N8 O48 Zr6 -","- C112 H48 N16 O96 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.078","0.0506","","","0.1044","0.1138","","","","","","1.001","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125132","24.348","0.014","24.348","","14.918","0.009","90","","90","","90","","8844","7","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H56 O32 Zr6 -","- C64 H56 O32 Zr6 -","- C128 H112 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0644","0.0417","","","0.091","0.0961","","","","","","1.001","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125133","24.35","0.03","24.354","","14.797","0.016","90","","90","","90","","8775","14","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C56 H24 I8 O32 Zr6 -","- C56 H24 I8 O32 Zr6 -","- C112 H48 I16 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.2289","0.08","","","0.145","0.1665","","","","","","1.002","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125134","34.882","0.006","34.882","","12.086","0.002","90","","90","","90","","14706","4","110","2","110","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C64 H24 F24 O32 Zr6 -","- C64 H24 F24 O32 Zr6 -","- C256 H96 F96 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1149","0.0865","","","0.1904","0.201","","","","","","1.004","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125135","23.024","0.002","23.024","0.002","18.6484","0.0019","90","","90","","90","","9885.6","1.6","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C56 H16 N16 O64 Zr6 -","- C56 H16 N16 O64 Zr6 -","- C112 H32 N32 O128 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1483","0.0889","","","0.1925","0.2107","","","","","","1.008","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125136","24.218","0.01","24.218","","15.359","0.006","90","","90","","90","","9008","5","173","2","173","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H64 O32 Zr6 -","- C72 H64 O32 Zr6 -","- C144 H128 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1586","0.0582","","","0.1079","0.121","","","","","","1.004","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125137","23.0867","0.0009","23.087","","18.8049","0.0008","90","","90","","90","","10023.1","0.6","110","2","110","2","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C98 H70 Cu0.53 I0.27 N2.27 O32 Zr6 -","- C98 H70 Cu0.58 I0.1448 N2.1448 O32 Zr6 -","- C196 H140 Cu1.16 I0.2896 N4.2896 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","1.54184","CuKα","","0.0964","0.0815","","","0.1899","0.1966","","","","","","1.002","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125138","35.053","0.017","35.053","","12.665","0.006","90","","90","","90","","15562","11","110","2","110","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H50 O32 Zr6 -","- C68 H50 O32 Zr6 -","- C272 H200 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.144","0.0616","","","0.1114","0.1247","","","","","","1.003","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125139","24.4","0.03","24.401","","14.88","0.02","90","","90","","90","","8859","16","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H58 O32 Zr6 -","- C72 H58 O32 Zr6 -","- C144 H116 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0865","0.0565","","","0.1271","0.1359","","","","","","1.006","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125140","23.679","0.008","23.679","","16.816","0.006","90","","90","","90","","9429","5","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C76 H54 O32 Zr6 -","- C76 H54 O32 Zr6 -","- C152 H108 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.0728","0.0497","","","0.1097","0.1154","","","","","","1.004","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125141","23.07","0.03","23.075","","19.16","0.02","90","","90","","90","","10200","17","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C70 H40 O32 Zr6 -","- C70 H40 O32 Zr6 -","- C140 H80 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.3601","0.1064","","","0.173","0.2192","","","","","","0.979","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125142","23.91","0.011","23.91","","16.057","0.008","90","","90","","90","","9180","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C86 H70 O32 Zr6 -","- C86 H70 O32 Zr6 -","- C172 H140 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1771","0.0802","","","0.1622","0.1884","","","","","","1.003","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125143","24.378","0.01","24.378","","15.017","0.006","90","","90","","90","","8924","5","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C74 H54 O32 Zr6 -","- C73.26 H54.08 O32 Zr6 -","- C146.52 H108.16 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1316","0.0772","","","0.17","0.1794","","","","","","1.002","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125144","34.29","0.03","34.293","","14.665","0.012","90","","90","","90","","17245","2","110","2","110","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C83 H65 O32 Zr6 -","- C83 H65 O32 Zr6 -","- C332 H260 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.2183","0.095","","","0.1906","0.2166","","","","","","1.002","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125145","24.288","0.011","24.288","","14.859","0.007","90","","90","","90","","8765","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C82 H58 O32 Zr6 -","- C81.26 H58.08 O32 Zr6 -","- C162.52 H116.16 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1441","0.0831","","","0.1862","0.1984","","","","","","1.008","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125146","33.505","0.013","33.505","","16.824","0.007","90","","90","","90","","18886","11","110","2","110","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C87 H62 O32 Zr6 -","- C87 H66 O32 Zr6 -","- C348 H264 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1803","0.116","","","0.2652","0.2882","","","","","","1.001","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125147","23.9","0.003","23.9","","16.817","0.002","90","","90","","90","","9606","1.7","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C96 H66 O32 Zr6 -","- C95 H66 O32 Zr6 -","- C190 H132 O64 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1614","0.1263","","","0.2823","0.2946","","","","","","1.012","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125148","23.33","0.04","23.332","","19.07","0.03","90","","90","","90","","10380","2","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C80.8 H49.6 O28.8 Zr6 -","- C80.8 H49.6 O28.8 Zr6 -","- C161.6 H99.2 O57.6 Zr12 -","2","0.125","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.2678","0.1025","","","0.1844","0.2288","","","","","","1.004","","","","has coordinates","187927","2020-10-21","18:00:00",""
"4125149","7.0696","0.0007","10.6921","0.001","16.9433","0.0016","105.252","0.008","91.082","0.008","103.892","0.008","1194.9","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 B2 O4 -","- C30 H16 B2 O4 -","- C60 H32 B4 O8 -","2","1","","Wang, Xiao-Ye; Narita, Akimitsu; Zhang, Wen; Feng, Xinliang; Müllen, Klaus","Synthesis of Stable Nanographenes with OBO-Doped Zigzag Edges Based on Tandem Demethylation-Electrophilic Borylation.","Journal of the American Chemical Society","2016","138","29","9021","9024","10.1021/jacs.6b04092","","","0.71073","MoKα","","0.1905","0.072","","","0.1529","0.212","","","","","","0.925","","","","has coordinates","187914","2020-10-21","18:00:00",""
"4125150","12.788","0.0012","10.8486","0.0008","9.2601","0.001","90","","90","","90","","1284.7","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H16 B10 N2 -","- C6 H16 B10 N2 -","- C24 H64 B40 N8 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0387","0.0345","","","0.0856","0.0877","","","","","","1.097","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125151","8.6489","0.0005","13.1773","0.0008","13.8649","0.0011","90","","94.794","0.004","90","","1574.64","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0963","0.0694","","","0.2004","0.2206","","","","","","1.078","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125152","12.862","0.0012","12.2276","0.0009","13.0826","0.0011","90","","90","","90","","2057.5","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H11 B10 N -","- C3 H11 B10 N -","- C24 H88 B80 N8 -","8","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0897","0.0529","","","0.1329","0.1567","","","","","","1.024","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125153","7.7608","0.0007","11.8506","0.0009","13.1031","0.0011","103.335","0.004","100.977","0.005","103.535","0.004","1101.34","0.17","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 B10 O2 -","- C18 H28 B10 O2 -","- C36 H56 B20 O4 -","2","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0916","0.0463","","","0.1023","0.1156","","","","","","0.89","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125154","12.5493","0.0003","13.4359","0.0003","24.2837","0.0007","90","","90","","90","","4094.5","0.18","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 Br O -","- C2 H11 B10 Br O -","- C32 H176 B160 Br16 O16 -","16","2","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0669","0.0376","","","0.0742","0.0815","","","","","","1.017","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125155","7.6501","0.0006","13.2544","0.0009","15.2454","0.001","90","","90","","90","","1545.85","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0465","0.0367","","","0.0844","0.0901","","","","","","1.023","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125156","12.7259","0.0007","12.9299","0.0007","20.6344","0.001","100.156","0.002","98.573","0.002","96.338","0.002","3272","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 B10 N O2 -","- C10 H21 B10 N O2 -","- C80 H168 B80 N8 O16 -","8","4","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0932","0.0564","","","0.1412","0.1625","","","","","","1.026","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125157","10.0301","0.0004","11.1977","0.0005","12.2876","0.0005","89.531","0.002","71.447","0.002","64.321","0.002","1165.47","0.09","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H32 Cl2 F12 I2 O6 -","- C49 H32 Cl2 F12 I2 O6 -","- C49 H32 Cl2 F12 I2 O6 -","1","0.5","","Wu, Junliang; Deng, Xiaozhou; Hirao, Hajime; Yoshikai, Naohiko","Pd-Catalyzed Conversion of Alkynyl-λ(3)-iodanes to Alkenyl-λ(3)-iodanes via Stereoselective 1,2-Iodine(III) Shift/1,1-Hydrocarboxylation.","Journal of the American Chemical Society","2016","138","29","9105","9108","10.1021/jacs.6b06247","","","0.71073","MoKα","","0.0543","0.0424","","","0.0953","0.1023","","","","","","1.004","","","","has coordinates,has disorder","187915","2020-10-21","18:00:00",""
"4125158","8.8713","0.0003","10.9507","0.0003","11.5619","0.0003","86.324","0.002","83.416","0.002","88.711","0.002","1113.37","0.06","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F6 I O3 -","- C24 H15 F6 I O3 -","- C48 H30 F12 I2 O6 -","2","1","","Wu, Junliang; Deng, Xiaozhou; Hirao, Hajime; Yoshikai, Naohiko","Pd-Catalyzed Conversion of Alkynyl-λ(3)-iodanes to Alkenyl-λ(3)-iodanes via Stereoselective 1,2-Iodine(III) Shift/1,1-Hydrocarboxylation.","Journal of the American Chemical Society","2016","138","29","9105","9108","10.1021/jacs.6b06247","","","0.71073","MoKα","","0.0245","0.0204","","","0.0473","0.0492","","","","","","1.106","","","","has coordinates","187915","2020-10-21","18:00:00",""
"4125159","12.5093","0.0011","13.2893","0.0012","31.967","0.003","90","","93.927","0.001","90","","5301.7","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 Cl N2 Os P -","- C56 H80 Cl N2 Os P -","- C224 H320 Cl4 N8 Os4 P4 -","4","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique","Square-Planar Alkylidyne-Osmium and Five-Coordinate Alkylidene-Osmium Complexes: Controlling the Transformation from Hydride-Alkylidyne to Alkylidene.","Journal of the American Chemical Society","2016","138","30","9720","9728","10.1021/jacs.6b05825","","","0.71073","MoKα","","0.1324","0.0968","","","0.1829","0.1962","","","","","","1.219","","","","has coordinates,has disorder","187896","2020-10-21","18:00:00",""
"4125160","24.642","0.003","24.642","0.003","16.016","0.002","90","","90","","90","","9725","2","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C45.5 H68 Cl N2 Os P -","- C45.5 H68 Cl N2 Os P -","- C364 H544 Cl8 N16 Os8 P8 -","8","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Oñate, Enrique","Square-Planar Alkylidyne-Osmium and Five-Coordinate Alkylidene-Osmium Complexes: Controlling the Transformation from Hydride-Alkylidyne to Alkylidene.","Journal of the American Chemical Society","2016","138","30","9720","9728","10.1021/jacs.6b05825","","","0.71073","MoKα","","0.1129","0.0499","","","0.1238","0.1621","","","","","","1.096","","","","has coordinates,has disorder","187896","2020-10-21","18:00:00",""
"4125161","24.307","0.0019","24.5206","0.0018","25.3072","0.0018","118.393","0.002","111.787","0.002","93.769","0.002","11767.2","1.6","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C196 Cu24 O120 -","- C196 Cu24 O120 -","- C196 Cu24 O120 -","1","0.5","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1153","0.0603","","","0.1582","0.1721","","","","","","0.803","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125162","36.076","0.002","36.076","0.002","29.2307","0.0019","90","","90","","120","","32946","3","100","","100","","","","","","","","","4","R -3","-R 3","148","","","","- C192 Cu24 N24 O168 -","- C192 Cu24 N24 O168 -","- C576 Cu72 N72 O504 -","3","","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0989","0.0797","","","0.2159","0.2353","","","","","","1.022","","","","has coordinates,has disorder","187897","2020-10-21","18:00:00",""
"4125163","27.401","0.011","27.401","0.011","35.409","0.014","90","","90","","90","","26586","18","296","2","296.15","","","","","","","","","3","I 4/m","-I 4","87","","","","- C192 Cu24 O144 -","- C192 Cu24 O144 -","- C384 Cu48 O288 -","2","0.125","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0808","0.0529","","","0.1339","0.1406","","","","","","0.9139","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125164","35.66","0.003","35.66","0.003","30.219","0.003","90","","90","","120","","33279","5","","","100","","","","","","","","","3","R -3","-R 3","148","","","","- C36 Cu4 O20 -","- C36 Cu4 O20 -","- C648 Cu72 O360 -","18","","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0921","0.0713","","","0.1872","0.2031","","","","","","1.0267","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125165","27.57","0.002","27.57","0.002","27.57","0.002","90","","90","","90","","20956","3","296.15","","296.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C192 H96 Cu24 O120 -","- C192 H96 Cu24 O120 -","- C384 H192 Cu48 O240 -","2","0.0208333","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0828","0.0618","","","0.1657","0.1773","","","","","","0.9908","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125166","26.217","0.002","26.217","0.002","44.813","0.005","90","","90","","90","","30801","5","100","2","100","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C192 Cu28 N24 O132 -","- C192 Cu28 N24 O132 -","- C384 Cu56 N48 O264 -","2","0.0625","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1303","0.0967","","","0.2659","0.2954","","","","","","0.9787","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125167","36.173","0.007","36.173","0.007","29.289","0.006","90","","90","","120","","33190","11","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C198 Cu24 N24 O168 -","- C198 Cu24 N24 O168 -","- C594 Cu72 N72 O504 -","3","0.166667","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.1442","0.0857","","","0.1988","0.2186","","","","","","1.0203","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4125168","27.571","0.004","27.571","0.004","35.456","0.005","90","","90","","90","","26952","7","100","","100","","","","","","","","","3","I 4/m","-I 4","87","","","","- C200 Cu24 O145 -","- C200 Cu24 O145 -","- C400 Cu48 O290 -","2","0.125","","Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.","Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.","Journal of the American Chemical Society","2016","138","30","9646","9654","10.1021/jacs.6b04971","","","0.71073","MoKα","","0.0911","0.0661","","","0.1831","0.1935","","","","","","0.9157","","","","has coordinates","187897","2020-10-21","18:00:00",""
"4125169","9.5544","0.0015","11.6505","0.0019","12.0027","0.0019","72.481","0.002","69.051","0.002","73.391","0.002","1165.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 N2 P S -","- C30 H21 N2 P S -","- C60 H42 N4 P2 S2 -","2","1","","Tao, Ye; Xu, Lijia; Zhang, Zhen; Chen, Runfeng; Li, Huanhuan; Xu, Hui; Zheng, Chao; Huang, Wei","Achieving Optimal Self-Adaptivity for Dynamic Tuning of Organic Semiconductors through Resonance Engineering.","Journal of the American Chemical Society","2016","138","30","9655","9662","10.1021/jacs.6b05042","","","0.71073","MoKα","","0.0481","0.0378","","","0.0996","0.1118","","","","","","1.052","","","","has coordinates","187898","2020-10-21","18:00:00",""
"4125170","9.731","0.0006","9.785","0.0007","11.1276","0.0009","95.858","0.006","101.602","0.006","109.696","0.006","960.46","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N P S -","- C24 H18 N P S -","- C48 H36 N2 P2 S2 -","2","1","","Tao, Ye; Xu, Lijia; Zhang, Zhen; Chen, Runfeng; Li, Huanhuan; Xu, Hui; Zheng, Chao; Huang, Wei","Achieving Optimal Self-Adaptivity for Dynamic Tuning of Organic Semiconductors through Resonance Engineering.","Journal of the American Chemical Society","2016","138","30","9655","9662","10.1021/jacs.6b05042","","","0.71073","MoKα","","0.0461","0.0377","","","0.0924","0.1004","","","","","","1.057","","","","has coordinates","187898","2020-10-21","18:00:00",""
"4125171","21.61","0.005","7.777","0.005","16.839","0.005","90","0.005","93.812","0.005","90","0.005","2824","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)pyrrolidin-2-one","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Paolino, Marco; Gueye, Moussa; Pieri, Elisa; Manathunga, Madushanka; Fusi, Stefania; Cappelli, Andrea; Latterini, Loredana; Pannacci, Danilo; Filatov, Michael; Léonard, Jérémie; Olivucci, Massimo","Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.","Journal of the American Chemical Society","2016","138","31","9807","9825","10.1021/jacs.5b10812","","","0.71073","MoKα","","0.0646","0.0472","","","0.1164","0.1284","","","","","","1.019","","","","has coordinates","187907","2020-10-21","18:00:00",""
"4125172","7.491","0.001","8.603","0.001","11.623","0.001","71.9","0.01","71.38","0.01","87.8","0.01","673.17","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(5-hydroxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)pyrrolidin-2-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Paolino, Marco; Gueye, Moussa; Pieri, Elisa; Manathunga, Madushanka; Fusi, Stefania; Cappelli, Andrea; Latterini, Loredana; Pannacci, Danilo; Filatov, Michael; Léonard, Jérémie; Olivucci, Massimo","Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.","Journal of the American Chemical Society","2016","138","31","9807","9825","10.1021/jacs.5b10812","","","0.71073","MoKα","","0.0774","0.0515","","","0.106","0.1244","","","","","","1.017","","","","has coordinates","187907","2020-10-21","18:00:00",""
"4125173","6.3942","0.0005","11.6678","0.0009","24.848","0.002","90","","90","","90","","1853.8","0.3","120","2","119.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Chapman, Lauren M.; Beck, Jordan C.; Wu, Linglin; Reisman, Sarah E.","Enantioselective Total Synthesis of (+)-Psiguadial B.","Journal of the American Chemical Society","2016","138","31","9803","9806","10.1021/jacs.6b07229","","","1.54178","CuKα","","0.0294","0.0292","","","0.0782","0.0785","","","","","","1.043","","","","has coordinates","187908","2020-10-21","18:00:00",""
"4125174","12.002","0.002","12.2342","0.0019","15.114","0.003","102.499","0.005","99.728","0.006","92.966","0.006","2126.5","0.6","243","2","243","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H46 N2 O6 -","- C57 H46 N2 O6 -","- C114 H92 N4 O12 -","2","1","","Ip, Ho-Wang; Ng, Chun-Fai; Chow, Hak-Fun; Kuck, Dietmar","Three-Fold Scholl-Type Cycloheptatriene Ring Formation around a Tribenzotriquinacene Core: Toward Warped Graphenes.","Journal of the American Chemical Society","2016","138","42","13778","","10.1021/jacs.6b05820","","","0.71073","MoKα","","0.0972","0.0538","","","0.1165","0.1369","","","","","","1.017","","","","has coordinates","187931","2020-10-21","18:00:00",""
"4125175","5.2753","0.0002","7.7876","0.0003","25.903","0.001","90.414","0.002","95.771","0.002","98.112","0.002","1047.91","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 F3 N2 O2 -","- C20 H35 F3 N2 O2 -","- C40 H70 F6 N4 O4 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","1.54178","CuKα","","0.0518","0.0476","","","0.1123","0.1156","","","","","","1","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125176","5.424","0.0001","9.1759","0.0002","23.7616","0.0005","88.7","0.001","83.798","0.001","83.935","0.001","1169.04","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H35 F3 N4 O2 S -","- C20 H35 F3 N4 O2 S -","- C40 H70 F6 N8 O4 S2 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","1.54178","CuKα","","0.0352","0.0337","","","0.0944","0.0959","","","","","","1.03","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125177","8.0522","0.0004","13.2016","0.0007","25.7191","0.0013","75.731","0.005","85.109","0.005","88.052","0.005","2639.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H35 F6 N3 O4 S2 -","- C20 H35 F6 N3 O4 S2 -","- C80 H140 F24 N12 O16 S8 -","4","2","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.1192","0.049","","","0.0738","0.0845","","","","","","1.014","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125178","8.4858","0.0003","56.257","0.002","8.7349","0.0003","90","","97.052","0.002","90","","4138.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H35 Cl N2 O4 -","- C18 H35 Cl N2 O4 -","- C144 H280 Cl8 N16 O32 -","8","2","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","1.54178","CuKα","","0.0611","0.0591","","","0.1731","0.1749","","","","","","1.105","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125179","5.3155","0.0001","7.3072","0.0002","27.5134","0.0006","87.006","0.0011","85.0705","0.001","73.2054","0.001","1018.87","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H35 N5 -","- C20 H35 N5 -","- C40 H70 N10 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.0575","0.0415","","","0.1097","0.1228","","","","","","1.045","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125180","9.6318","0.0003","8.3408","0.0003","56.7289","0.0019","90","","92.107","0.002","90","","4554.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 F3 N2 O3 S -","- C19 H35 F3 N2 O3 S -","- C152 H280 F24 N16 O24 S8 -","8","2","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.0641","0.0477","","","0.1285","0.1399","","","","","","1.01","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125181","5.315","0.0007","7.8401","0.0012","24.302","0.004","91.377","0.003","94.775","0.004","98.629","0.004","997","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H37 Br N2 O -","- C18 H37 Br N2 O -","- C36 H74 Br2 N4 O2 -","2","1","","Nelyubina, Yulia V.; Shaplov, Alexander S.; Lozinskaya, Elena I.; Buzin, Mikhail I.; Vygodskii, Yakov S.","A New Volume-Based Approach for Predicting Thermophysical Behavior of Ionic Liquids and Ionic Liquid Crystals.","Journal of the American Chemical Society","2016","138","32","10076","10079","10.1021/jacs.6b05174","","","0.71073","MoKα","","0.0552","0.0389","","","0.0789","0.0851","","","","","","1.004","","","","has coordinates","187933","2020-10-21","18:00:00",""
"4125182","19.826","0.004","19.826","0.004","30.613","0.006","90","","90","","90","","12033","4","130","2","130","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C72 H112 I5 K2 O91 -","- C72 H112 I5 K2 O91 -","- C288 H448 I20 K8 O364 -","4","0.5","","Zhou, Hongyao; Yamada, Teppei; Kimizuka, Nobuo","Supramolecular Thermo-Electrochemical Cells: Enhanced Thermoelectric Performance by Host-Guest Complexation and Salt-Induced Crystallization.","Journal of the American Chemical Society","2016","138","33","10502","10507","10.1021/jacs.6b04923","","","0.71075","MoKα","","0.1276","0.0981","","","0.2816","0.3318","","","","","","1.085","","","","has coordinates","187925","2020-10-21","18:00:00",""
"4125183","9.8511","0.0014","16.512","0.003","20.18","0.003","90","","90","","90","","3282.5","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N2 Si3 -","- C32 H48 N2 Si3 -","- C128 H192 N8 Si12 -","4","1","","Wang, Zhendong; Zhang, Jianying; Li, Jianfeng; Cui, Chunming","NHC-Stabilized Silicon-Carbon Mixed Cumulene.","Journal of the American Chemical Society","2016","138","33","10421","10424","10.1021/jacs.6b06960","","","0.71073","MoKα","","0.0555","0.0399","","","0.1055","0.119","","","","","","0.831","","","","has coordinates","187922","2020-10-21","18:00:00",""
"4125184","9.1735","0.0018","17.478","0.004","18.2","0.004","90","","101.25","0.03","90","","2862","1.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H47 Cl N2 Si4 -","- C21 H47 Cl N2 Si4 -","- C84 H188 Cl4 N8 Si16 -","4","1","","Wang, Zhendong; Zhang, Jianying; Li, Jianfeng; Cui, Chunming","NHC-Stabilized Silicon-Carbon Mixed Cumulene.","Journal of the American Chemical Society","2016","138","33","10421","10424","10.1021/jacs.6b06960","","","0.71073","MoKα","","0.1078","0.0683","","","0.1614","0.1816","","","","","","1.011","","","","has coordinates","187922","2020-10-21","18:00:00",""
"4125185","7.5669","0.0001","14.1761","0.0002","15.2272","0.0002","90","","90","","90","","1633.41","0.04","130","2","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Wang, Jie; Chen, Mu-Wang; Ji, Yue; Hu, Shu-Bo; Zhou, Yong-Gui","Kinetic Resolution of Axially Chiral 5- or 8-Substituted Quinolines via Asymmetric Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10413","10416","10.1021/jacs.6b06009","","","1.54178","CuKα","","0.0318","0.0313","","","0.0805","0.0811","","","","","","1.064","","","","has coordinates","187924","2020-10-21","18:00:00",""
"4125186","7.3982","0.0009","7.3861","0.001","27.199","0.003","90","","90","","90","","1486.3","0.3","293","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","1","","Wang, Jie; Chen, Mu-Wang; Ji, Yue; Hu, Shu-Bo; Zhou, Yong-Gui","Kinetic Resolution of Axially Chiral 5- or 8-Substituted Quinolines via Asymmetric Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10413","10416","10.1021/jacs.6b06009","","","1.54178","CuKα","","0.0845","0.0785","","","0.2337","0.2459","","","","","","1.114","","","","has coordinates","187924","2020-10-21","18:00:00",""
"4125189","14.5078","0.0006","17.5364","0.0008","10.1577","0.0004","90","","90","","90","","2584.27","0.19","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H36 B10 O4 P2 Ru -","- C16 H36 B10 O4 P2 Ru -","- C64 H144 B40 O16 P8 Ru4 -","4","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0487","0.03","","","0.0576","0.0626","","","","","","1.037","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125190","11.9543","0.0005","14.3559","0.0006","16.4299","0.0007","90","","90","","90","","2819.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H37 B10 Cl O4 P2 Ru -","- C16 H37 B10 Cl O4 P2 Ru -","- C64 H148 B40 Cl4 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0279","0.0222","","","0.0411","0.0425","","","","","","1.026","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125191","18.6818","0.0008","8.9257","0.0003","19.5607","0.0008","90","","91.606","0.0014","90","","3260.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 B10 O6 P2 Ru -","- C21 H42 B10 O6 P2 Ru -","- C84 H168 B40 O24 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0674","0.0389","","","0.0722","0.0812","","","","","","1.018","","","","has coordinates,has disorder","187923","2020-10-21","18:00:00",""
"4125192","15.7357","0.0008","12.9295","0.0007","15.8165","0.0008","90","","103.388","0.002","90","","3130.5","0.3","100","2","100","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C18 H36 B10 D3 I2 O3 P2 Ru -","- C18 H36 B10 D3 I2 O3 P2 Ru -","- C72 H144 B40 D12 I8 O12 P8 Ru4 -","4","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0241","0.0188","","","0.0452","0.0472","","","","","","1.04","","","","has coordinates,has disorder","187923","2020-10-21","18:00:00",""
"4125193","10.908","0.0006","13.3367","0.0007","21.9824","0.0011","90","","99.305","0.002","90","","3155.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 B10 O4 P2 Ru -","- C22 H46 B10 O4 P2 Ru -","- C88 H184 B40 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0536","0.0364","","","0.0726","0.0775","","","","","","1.069","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125194","9.2907","0.0005","14.0608","0.0007","20.6883","0.0012","90","","94.379","0.002","90","","2694.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 B11 O4 P2 Ru -","- C16 H39 B11 O4 P2 Ru -","- C64 H156 B44 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0198","0.0161","","","0.0405","0.0415","","","","","","1.075","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125195","11.97","0.002","12.297","0.002","17.763","0.003","80.063","0.005","76.452","0.005","82.123","0.006","2491","0.7","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H54 B Li N4 O -","- C34 H54 B Li N4 O -","- C102 H162 B3 Li3 N12 O3 -","3","3","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1638","0.0873","","","0.1739","0.2179","","","","","","1.016","","","","has coordinates,has disorder","187921","2020-10-21","18:00:00",""
"4125196","16.436","0.007","10.063","0.004","18","0.008","90","","91.481","0.008","90","","2976","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 B K N4 -","- C30 H46 B K N4 -","- C120 H184 B4 K4 N16 -","4","1","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1156","0.0747","","","0.163","0.1813","","","","","","1.073","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125197","11.66","0.005","11.66","0.005","13.306","0.005","90","","90","","120","","1566.7","1.1","110","2","110","2","","","","","","","","6","P -3","-P 3","147","","","","- C31 H46 B Li N4 O2 -","- C30.9999 H45.9999 B Li N4 O1.9998 -","- C61.9998 H91.9998 B2 Li2 N8 O3.9996 -","2","0.333333","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1271","0.0755","","","0.191","0.2199","","","","","","1.074","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125198","13.3224","0.0013","17.05","0.0017","17.6861","0.0018","99.8463","0.0017","111.99","0.0017","112.862","0.0016","3188.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 B N4 Na O2 -","- C31 H46 B N4 Na O2 -","- C124 H184 B4 N16 Na4 O8 -","4","2","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1111","0.0732","","","0.1892","0.2145","","","","","","1.074","","","","has coordinates,has disorder","187921","2020-10-21","18:00:00",""
"4125199","9.57","0.002","19.486","0.004","17.762","0.004","90","","102.244","0.004","90","","3236.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 B K N4 O2 -","- C31 H46 B K N4 O2 -","- C124 H184 B4 K4 N16 O8 -","4","1","","Mukherjee, Debabrata; Osseili, Hassan; Spaniol, Thomas P.; Okuda, Jun","Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Chemoselective Catalysts for Carbonyl and CO2 Hydroboration.","Journal of the American Chemical Society","2016","138","34","10790","10793","10.1021/jacs.6b06319","","","0.71073","MoKα","","0.1024","0.0585","","","0.1218","0.141","","","","","","1.037","","","","has coordinates","187921","2020-10-21","18:00:00",""
"4125200","12.8244","0.0009","12.9947","0.0009","24.5725","0.0017","90","","90","","90","","4095","0.5","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H42 Co2 O4 P2 S Si -","- C43 H42 Co2 O4 P2 S Si -","- C172 H168 Co8 O16 P8 S4 Si4 -","4","1","","Terada, Masahiro; Ota, Yusuke; Li, Feng; Toda, Yasunori; Kondoh, Azusa","Enantioconvergent Nucleophilic Substitution Reaction of Racemic Alkyne-Dicobalt Complex (Nicholas Reaction) Catalyzed by Chiral Brønsted Acid.","Journal of the American Chemical Society","2016","138","34","11038","11043","10.1021/jacs.6b05948","","","1.54178","CuKα","","0.0362","0.0356","","","0.1085","0.1096","","","","","","0.985","","","","has coordinates","187920","2020-10-21","18:00:00",""
"4125201","16.638","0.0007","5.481","0.0003","33.4803","0.0015","90","","90","","90","","3053.2","0.3","125","","125","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H15 F3 -","- C21 H15 F3 -","- C168 H120 F24 -","8","2","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","1.54178","CuKα","","0.0572","0.0481","","","0.1186","0.1244","","","","","","1.05","","","","has coordinates","187894","2020-10-21","18:00:00",""
"4125202","17.8244","0.0005","7.5148","0.0002","22.276","0.0006","90","","99.79","0.002","90","","2940.35","0.14","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O -","- C21 H18 O -","- C168 H144 O8 -","8","1","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","1.54178","CuKα","","0.0425","0.0392","","","0.1052","0.1081","","","","","","1.055","","","","has coordinates","187894","2020-10-21","18:00:00",""
"4125203","18.758","0.003","5.7669","0.0008","13.563","0.002","90","","110.826","0.004","90","","1371.3","0.4","100","2","100","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C19 H20 O -","- C19 H20 O -","- C76 H80 O4 -","4","1","","Toriyama, Fumihiko; Cornella, Josep; Wimmer, Laurin; Chen, Tie-Gen; Dixon, Darryl D.; Creech, Gardner; Baran, Phil S.","Redox-Active Esters in Fe-Catalyzed C-C Coupling.","Journal of the American Chemical Society","2016","138","35","11132","11135","10.1021/jacs.6b07172","","x-ray","0.71073","MoKα","","0.0909","0.0819","","","0.2146","0.2226","","","","","","1.089","","","","has coordinates,has disorder","187894","2020-10-21","18:00:00",""
"4125204","13.9066","0.0004","18.4465","0.0005","20.5506","0.0014","89.068","0.006","71.963","0.005","81.667","0.006","4957.5","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H141 Fe3 K N10 O6 -","- C105 H141 Fe3 K N10 O6 -","- C210 H282 Fe6 K2 N20 O12 -","2","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.3108","0.0684","","","0.1024","0.1609","","","","","","0.68","","","","has coordinates,has disorder","187895","2020-10-21","18:00:00",""
"4125205","13.6536","0.001","18.9103","0.0013","25.4722","0.0018","90","","101.305","0.003","90","","6449.2","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H94 Fe3 N8 O -","- C71 H94 Fe3 N8 O -","- C284 H376 Fe12 N32 O4 -","4","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","0.71073","MoKα","","0.0833","0.0466","","","0.1016","0.1228","","","","","","1.089","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125206","11.7403","0.0002","13.7572","0.0003","21.6519","0.0015","97.973","0.007","92.876","0.007","107.661","0.008","3284.2","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H81 Fe3 N8 -","- C66 H81 Fe3 N8 -","- C132 H162 Fe6 N16 -","2","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.0898","0.0763","","","0.2022","0.2139","","","","","","1.088","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125207","13.5997","0.001","18.2403","0.0013","20.2851","0.0014","88.986","0.002","84.849","0.002","85.023","0.002","4992.5","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 Fe3 K N8 O8 -","- C86 H122 Fe3 K N8 O8 -","- C172 H244 Fe6 K2 N16 O16 -","2","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54178","CuKα","","0.1941","0.098","","","0.2278","0.2863","","","","","","1.023","","","","has coordinates,has disorder","187895","2020-10-21","18:00:00",""
"4125208","27.2669","0.0019","18.0306","0.0004","20.0074","0.0004","90","","95.201","0.007","90","","9795.9","0.8","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H107 Fe3 K N8 O6 -","- C78 H107 Fe3 K N8 O6 -","- C312 H428 Fe12 K4 N32 O24 -","4","1","","MacLeod, K. Cory; Menges, Fabian S.; McWilliams, Sean F.; Craig, Stephanie M.; Mercado, Brandon Q.; Johnson, Mark A.; Holland, Patrick L.","Alkali-Controlled C-H Cleavage or N-C Bond Formation by N2-Derived Iron Nitrides and Imides.","Journal of the American Chemical Society","2016","138","35","11185","11191","10.1021/jacs.6b04984","","","1.54187","CuKα","","0.0744","0.0435","","","0.0709","0.0791","","","","","","0.889","","","","has coordinates","187895","2020-10-21","18:00:00",""
"4125209","12.6555","0.0007","15.1068","0.0009","16.1136","0.0009","85.1546","0.0012","88.2286","0.0013","75.2419","0.0012","2968.2","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","eishl02","","","- C56 H88 Fe2 N2 S8 -","- C56 H88 Fe2 N2 S8 -","- C112 H176 Fe4 N4 S16 -","2","1","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.1","0.0551","","","0.1174","0.1373","","","","","","0.932","","","","has coordinates","187900","2020-10-21","18:00:00",""
"4125210","34.115","0.002","34.115","0.002","15.1763","0.0009","90","","90","","120","","15296.3","1.6","100","0.5","100","0.5","","","","","","","","5","R -3 :H","-R 3","148","eishl03","","","- C60 H96 Fe2 N2 S8 -","- C60 H96 Fe2 N2 S8 -","- C540 H864 Fe18 N18 S72 -","9","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.1164","0.0588","","","0.146","0.1829","","","","","","1.01","","","","has coordinates,has disorder","187900","2020-10-21","18:00:00",""
"4125211","14.0308","0.0012","16.9507","0.0014","14.2666","0.0012","90","","103.778","0.0018","90","","3295.4","0.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eishl01","","","- C56 H80 Cl8 Fe2 N2 S8 -","- C56 H80 Cl8 Fe2 N2 S8 -","- C112 H160 Cl16 Fe4 N4 S16 -","2","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.0793","0.0532","","","0.1338","0.1511","","","","","","1.022","","","","has coordinates","187900","2020-10-21","18:00:00",""
"4125212","13.9394","0.0008","18.7636","0.0011","15.3821","0.0009","90","","115.958","0.0012","90","","3617.3","0.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","eishl04","","","- C56 H72 Cl16 Fe2 N2 S8 -","- C56 H72 Cl16 Fe2 N2 S8 -","- C112 H144 Cl32 Fe4 N4 S16 -","2","0.5","","Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard","Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.","Journal of the American Chemical Society","2016","138","36","11654","11663","10.1021/jacs.6b05040","","","0.71073","MoKα","","0.0884","0.0574","","","0.1494","0.1732","","","","","","1.034","","","","has coordinates","187900","2020-10-21","18:00:00",""
"4125213","15.7207","0.001","24.401","0.0016","19.1401","0.0013","90","","108.67","0.003","90","","6955.8","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H152 Au Cl4 O76 Rb -","- C84 H152 Au Cl4 O76 Rb -","- C168 H304 Au2 Cl8 O152 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0849","0.081","","","0.2185","0.2247","","","","","","1.047","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125214","13.6582","0.0007","13.9202","0.0007","15.6235","0.0009","93.585","0.002","89.976","0.002","118.879","0.0017","2594.4","0.2","100","2","100.01","","","","","","","","","6","P 1","P 1","1","","","","- C72 H130 Au0.75 Cl4 Na O65 -","- C72 H130 Au0.75 Cl4 Na O65 -","- C72 H130 Au0.75 Cl4 Na O65 -","1","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0989","0.0936","","","0.2476","0.2555","","","","","","1.046","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125215","23.7355","0.0011","23.7355","0.0011","22.8031","0.0011","90","","90","","90","","12846.7","1","100","2","99.96","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H504 Au Cl4 O256 Rb2 -","- C288 H504 Au Cl4 O256 Rb2 -","- C288 H504 Au Cl4 O256 Rb2 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0755","0.0716","","","0.2132","0.2184","","","","","","1.047","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125216","13.951","0.0005","23.8573","0.001","16.0436","0.0006","90","","96.2619","0.0019","90","","5308","0.4","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H130 Au Cl4 O65 Rb -","- C72 H130 Au Cl4 O65 Rb -","- C144 H260 Au2 Cl8 O130 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0366","0.0363","","","0.0962","0.0967","","","","","","1.028","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125217","15.7324","0.0009","24.3405","0.0013","19.2739","0.0012","90","","108.952","0.003","90","","6980.5","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H152 Au0.8 Cl3.2 Na0.8 O76 -","- C84 H152 Au0.8 Cl3.2 Na0.8 O76 -","- C168 H304 Au1.6 Cl6.4 Na1.6 O152 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0475","0.0469","","","0.1276","0.1284","","","","","","1.02","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125218","23.7683","0.0016","14.1475","0.0009","16.2856","0.0011","90","","90","","90","","5476.2","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H122 Au Br4 Na O61 -","- C72 H122 Au Br4 Na O61 -","- C144 H244 Au2 Br8 Na2 O122 -","2","0.5","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0553","0.0548","","","0.1535","0.1542","","","","","","1.073","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125219","23.6486","0.0004","23.6486","0.0004","22.7925","0.0005","90","","90","","90","","12746.8","0.4","100","2","99.97","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C144 H264 Au Br4 Na O135 -","- C144 H264 Au0.999 Br4 Na O135 -","- C288 H528 Au1.998 Br8 Na2 O270 -","2","0.25","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0834","0.0613","","","0.1603","0.1688","","","","","","0.937","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125220","23.7386","0.0006","23.7386","0.0006","22.7883","0.0006","90","","90","","90","","12841.7","0.6","100","2","99.95","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H488 Au Br4 O248 Rb2 -","- C288 H488 Au Br4 O248 Rb2.0008 -","- C288 H488 Au Br4 O248 Rb2.0008 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0897","0.0758","","","0.2044","0.2172","","","","","","1.009","","","","has coordinates","187901","2020-10-21","18:00:00",""
"4125221","15.8404","0.0004","24.5602","0.0006","19.0823","0.0006","90","","108.399","0.002","90","","7044.3","0.3","100","2","99.95","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H164 Au0.78 Br3.1 O82 Rb0.78 -","- C84 H164 Au0.775 Br3.1 O82 Rb0.775 -","- C168 H328 Au1.55 Br6.2 O164 Rb1.55 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0748","0.069","","","0.1875","0.1938","","","","","","1.064","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125222","23.761","0.012","23.761","0.012","22.836","0.017","90","","90","","90","","12893","13","100","2","100.03","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C288 H480 Au Cl4 Na O241 -","- C288 H480 Au Cl4 Na O241 -","- C288 H480 Au Cl4 Na O241 -","1","0.125","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","0.71073","MoKα","","0.1041","0.081","","","0.2361","0.2521","","","","","","1.043","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125223","16.3326","0.0007","14.2587","0.0006","23.6886","0.0009","90","","90.021","0.002","90","","5516.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H139 Au0.89 Br3.76 Cs1.1 O69.5 -","- C72 H139.01 Au0.885 Br3.761 Cs1.102 O69.505 -","- C144 H278.02 Au1.77 Br7.522 Cs2.204 O139.01 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0581","0.058","","","0.1582","0.1583","","","","","","1.033","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125224","16.3791","0.001","14.2585","0.0008","23.6538","0.0013","90","","90.259","0.003","90","","5524.1","0.5","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H142 Au Br4 O69 Rb -","- C74 H142 Au Br4 O69 Rb -","- C148 H284 Au2 Br8 O138 Rb2 -","2","1","","Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser","Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.","Journal of the American Chemical Society","2016","138","36","11643","11653","10.1021/jacs.6b04986","","","1.54178","CuKα","","0.0513","0.0512","","","0.1421","0.1424","","","","","","1.074","","","","has coordinates,has disorder","187901","2020-10-21","18:00:00",""
"4125225","9.3703","0.0004","9.8045","0.0004","17.2896","0.0008","92.27","0.002","92.092","0.002","93.949","0.002","1582.17","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 B N2 -","- C42 H45 B N2 -","- C84 H90 B2 N4 -","2","1","","Wang, Xinyang; Zhang, Fan; Schellhammer, Karl Sebastian; Machata, Peter; Ortmann, Frank; Cuniberti, Gianaurelio; Fu, Yubin; Hunger, Jens; Tang, Ruizhi; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","Synthesis of NBN-Type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motif.","Journal of the American Chemical Society","2016","138","36","11606","11615","10.1021/jacs.6b04445","","x-ray","0.71073","MoKα","","0.0643","0.045","","","0.1152","0.1244","","","","","","0.95","","","","has coordinates","187902","2020-10-21","18:00:00",""
"4125226","23.6678","0.0015","21.434","0.0013","9.937","0.0006","90","","96.896","0.002","90","","5004.5","0.5","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H37 B N2 -","- C30 H37 B N2 -","- C240 H296 B8 N16 -","8","2","","Wang, Xinyang; Zhang, Fan; Schellhammer, Karl Sebastian; Machata, Peter; Ortmann, Frank; Cuniberti, Gianaurelio; Fu, Yubin; Hunger, Jens; Tang, Ruizhi; Popov, Alexey A.; Berger, Reinhard; Müllen, Klaus; Feng, Xinliang","Synthesis of NBN-Type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motif.","Journal of the American Chemical Society","2016","138","36","11606","11615","10.1021/jacs.6b04445","","","0.71073","MoKα","","0.0884","0.0395","","","0.0648","0.0747","","","","","","0.836","","","","has coordinates","187902","2020-10-21","18:00:00",""
"4125227","27.373","0.002","27.373","0.002","18.5827","0.0017","90","","90","","90","","13923.7","1.9","100","2","100","2","","","","","","","","5","I 4 m m","I 4 -2","107","mer-MeMeCH2@ZIF-10-xDMF","mer-MeMeCH2@Zn16Im32-xDMF","","- C247 H395 N101 O45 Zn16 -","- C136 H136 N64 O8 Zn16 -","- C272 H272 N128 O16 Zn32 -","2","0.125","","Ramirez, Joseph R.; Yang, Haiyang; Kane, Christopher M.; Ley, Amanda N.; Holman, K. Travis","Reproducible Synthesis and High Porosity of mer-Zn(Im)2 (ZIF-10): Exploitation of an Apparent Double-Eight Ring Template.","Journal of the American Chemical Society","2016","138","37","12017","12020","10.1021/jacs.6b06375","","","0.71073","MoKα","","0.1159","0.0582","","","0.1701","0.1952","","","","","","0.992","","","","has coordinates,has disorder","187919","2020-10-21","18:00:00",""
"4125228","8.1727","0.0003","12.9877","0.0005","19.1341","0.0007","90","","90","","90","","2030.98","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O -","- C25 H29 N O -","- C100 H116 N4 O4 -","4","1","","Zhou, Qi; Cobb, Kelsey M.; Tan, Tianyu; Watson, Mary P.","Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity.","Journal of the American Chemical Society","2016","138","37","12057","12060","10.1021/jacs.6b08075","","","1.54178","CuKα","","0.0544","0.0492","","","0.1479","0.155","","","","","","1.171","","","","has coordinates","187918","2020-10-21","18:00:00",""
"4125229","21.7695","0.0007","5.8807","0.0002","10.4637","0.0003","90","","97.282","0.002","90","","1328.76","0.07","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Zhou, Qi; Cobb, Kelsey M.; Tan, Tianyu; Watson, Mary P.","Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity.","Journal of the American Chemical Society","2016","138","37","12057","12060","10.1021/jacs.6b08075","","","1.54178","CuKα","","0.0359","0.0349","","","0.0937","0.0948","","","","","","1.035","","","","has coordinates","187918","2020-10-21","18:00:00",""
"4125230","19.756","0.009","11.388","0.005","8.946","0.004","90","","90","","90","","2012.7","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.0485","0.043","","","0.1248","0.1336","","","","","","0.942","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125231","9.086","0.006","11.473","0.008","19.916","0.013","90","","90","","90","","2076","2","343","2","343","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cl2 D2 N2 O4 -","- C20 H20 Cl2 D2 N2 O4 -","- C80 H80 Cl8 D8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1325","0.0589","","","0.145","0.1804","","","","","","0.822","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125232","19.787","0.009","11.403","0.005","8.953","0.004","90","","90","","90","","2020.1","1.6","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl2 D2 N2 O4 -","- C20 H20 Cl2 D2 N2 O4 -","- C80 H80 Cl8 D8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71073","MoKα","","0.0597","0.0443","","","0.1053","0.1138","","","","","","0.893","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125233","19.745","0.005","11.357","0.003","8.896","0.0019","90","","90","","90","","1994.9","0.8","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.0327","0.0325","","","0.105","0.1059","","","","","","1.005","","","","has coordinates","187917","2020-10-21","18:00:00",""
"4125234","9.083","0.007","11.433","0.009","19.797","0.018","90","","90","","90","","2056","3","338","2","338","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1198","0.0701","","","0.1754","0.2032","","","","","","1.13","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125235","17.5558","0.001","7.0307","0.0004","17.5147","0.0009","90","","106.484","0.006","90","","2073","0.2","293.15","","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C96 H80 N32 -","8","2","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.7107","MoKα","","0.0863","0.0577","","","0.1307","0.1441","","","","","","1.116","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125236","15.0395","0.0016","7.5585","0.0007","35.865","0.004","90","","101.24","0.01","90","","3998.8","0.7","143.05","0.1","143.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Cl3 F12 N8 -","- C39 H21 Cl3 F12 N8 -","- C156 H84 Cl12 F48 N32 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","0.71073","MoKα","","0.1331","0.0853","","","0.2497","0.2992","","","","","","1.093","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125237","33.375","0.003","8.0465","0.0005","32.417","0.004","90","","115.826","0.013","90","","7836.1","1.6","293","2","293.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H20.03 N6 -","- C23 H20.036 N6 -","- C368 H320.576 N96 -","16","2","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","0.71073","MoKα","","0.1042","0.0602","","","0.1454","0.1759","","","","","","1.019","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125238","20.468","0.002","7.5319","0.0007","27.491","0.003","90","","101.425","0.009","90","","4154.1","0.7","143","0.1","143","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H25 Cl3 F12 N8 -","- C41 H25 Cl3 F12 N8 -","- C164 H100 Cl12 F48 N32 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","0.71073","MoKα","","0.1193","0.0727","","","0.207","0.2446","","","","","","1.07","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125239","13.35","0.0003","10.0002","0.0002","27.9606","0.0007","90","","98.304","0.002","90","","3693.68","0.15","293.15","","293.15","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H12 F6 N4 -","- C20 H12 F6 N4 -","- C160 H96 F48 N32 -","8","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0919","0.0837","","","0.2462","0.2585","","","","","","1.086","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125240","7.6508","0.0004","8.3307","0.0004","13.624","0.0006","100.727","0.004","99.114","0.004","98.267","0.004","828.86","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 Cl N5 -","- C19 H16 Cl N5 -","- C38 H32 Cl2 N10 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0603","0.0549","","","0.1463","0.1554","","","","","","1.049","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125241","7.4714","0.0005","9.4834","0.0004","15.0286","0.0009","77.253","0.004","76.24","0.005","83.065","0.004","1006.17","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F6 N5 -","- C21 H15 F6 N5 -","- C42 H30 F12 N10 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.1016","0.0678","","","0.1693","0.1962","","","","","","1.049","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125242","7.8375","0.0003","14.804","0.0005","18.762","0.0006","76.578","0.003","86.891","0.003","87.608","0.003","2113.36","0.13","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H32 Cl2 F12 N10 -","- C43 H32 Cl2 F12 N10 -","- C86 H64 Cl4 F24 N20 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.0978","0.0625","","","0.1386","0.1609","","","","","","1.031","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125243","7.6566","0.0006","30.6548","0.0015","7.8558","0.0006","90","","115.192","0.009","90","","1668.5","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N6 -","- C20 H16 N6 -","- C80 H64 N24 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","x-ray","1.54184","CuKα","","0.0667","0.0603","","","0.1674","0.1783","","","","","","1.026","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125244","7.0493","0.0004","9.2417","0.0008","15.1514","0.0011","94.912","0.007","103.007","0.006","111.772","0.007","877.41","0.13","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H10 F6 N4 -","- C19 H10 F6 N4 -","- C38 H20 F12 N8 -","2","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.1084","0.0703","","","0.1716","0.2125","","","","","","1.036","","","","has coordinates,has disorder","187893","2020-10-21","18:00:00",""
"4125245","6.3116","0.0003","19.0781","0.0012","9.8328","0.0006","90","","99.199","0.005","90","","1168.77","0.12","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N4 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Wu, Jie; Cheng, Yangyang; Lan, Jingbo; Wu, Di; Qian, Shengyou; Yan, Lipeng; He, Zhen; Li, Xiaoyu; Wang, Kai; Zou, Bo; You, Jingsong","Molecular Engineering of Mechanochromic Materials by Programmed C-H Arylation: Making a Counterpoint in the Chromism Trend.","Journal of the American Chemical Society","2016","138","39","12803","12812","10.1021/jacs.6b03890","","","0.71073","MoKα","","0.0685","0.047","","","0.1092","0.1236","","","","","","1.031","","","","has coordinates","187893","2020-10-21","18:00:00",""
"4125246","13.4857","0.0006","8.272","0.0004","19.9081","0.0008","90","","101.058","0.004","90","","2179.59","0.17","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H58 Mg2 N4 -","- C46 H58 Mg2 N4 -","- C92 H116 Mg4 N8 -","2","0.5","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.0792","0.0502","","","0.1243","0.1472","","","","","","1","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125247","12.8601","0.0011","15.9403","0.0014","18.1538","0.0013","84.244","0.007","89.38","0.006","88.675","0.007","3701.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H49 F5 Mg N2 O -","- C39 H49 F5 Mg N2 O -","- C156 H196 F20 Mg4 N8 O4 -","4","2","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.1694","0.0715","","","0.1904","0.2208","","","","","","0.813","","","","has coordinates,has disorder","187891","2020-10-21","18:00:00",""
"4125248","14.9886","0.0004","14.8728","0.0004","36.1312","0.0009","90","","98.802","0.003","90","","7959.6","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H49 F7 Mg N2 O -","- C40 H49 F7 Mg N2 O -","- C320 H392 F56 Mg8 N16 O8 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0799","0.0555","","","0.131","0.1456","","","","","","1.042","","","","has coordinates,has disorder","187891","2020-10-21","18:00:00",""
"4125249","34.4121","0.0008","14.8141","0.0003","14.8714","0.0004","90","","100.005","0.002","90","","7465.9","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H49 F4 Mg N3 O -","- C38 H49 F4 Mg N3 O -","- C304 H392 F32 Mg8 N24 O8 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0707","0.0485","","","0.1181","0.1317","","","","","","1.016","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125250","31.6147","0.0004","16.0108","0.0002","15.04066","0.00019","90","","101.334","0.0012","90","","7464.76","0.17","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H45 F4 Mg N3 -","- C40 H45 F4 Mg N3 -","- C320 H360 F32 Mg8 N24 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.0468","0.0387","","","0.1026","0.1083","","","","","","1.036","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125251","18.253","0.0006","13.8247","0.0003","21.1714","0.0006","90","","110.993","0.003","90","","4987.8","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H70 Mg2 N4 -","- C52 H70 Mg2 N4 -","- C208 H280 Mg8 N16 -","4","0.5","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","1.54184","CuKα","","0.0548","0.0458","","","0.1293","0.1363","","","","","","1.031","","","","has coordinates","187891","2020-10-21","18:00:00",""
"4125252","11.9516","0.0005","18.2934","0.0007","15.7645","0.0006","90","","99.934","0.004","90","","3395","0.2","173","2","173","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C72 H112 F2 Mg2 N4 O2 -","- C71 H112 F2 Mg2 N4 O2 -","- C142 H224 F4 Mg4 N8 O4 -","2","0.25","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0659","0.0467","","","0.1066","0.1171","","","","","","1.033","","","","has coordinates,has disorder","209173","2020-10-21","18:00:00",""
"4125253","9.5297","0.0005","9.8101","0.0007","9.8488","0.0006","79.725","0.002","84.919","0.002","89.558","0.002","902.38","0.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Liu, Zhen; Derosa, Joseph; Engle, Keary M.","Palladium(II)-Catalyzed Regioselective syn-Hydroarylation of Disubstituted Alkynes Using a Removable Directing Group.","Journal of the American Chemical Society","2016","138","39","13076","13081","10.1021/jacs.6b08818","","x-ray","0.71073","MoKα","","0.0627","0.0514","","","0.1317","0.141","","","","","","1.054","","","","has coordinates","187892","2020-10-21","18:00:00",""
"4125254","11.004","0.0002","8.344","0.0001","24.0042","0.0004","90","","97.4468","0.0015","90","","2185.41","0.06","150","","150","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H68 F N5 O2 -","- C46 H68 F N5 O2 -","- C92 H136 F2 N10 O4 -","2","0.5","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0537","0.0468","","0.1326","0.1242","0.1326","","","","","","0.9932","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125255","10.9971","0.0002","17.064","0.0004","24.9997","0.0006","90","","92.7108","0.0009","90","","4686.06","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 F13 N5 O2 -","- C46 H56 F12.998 N5 O2 -","- C184 H224 F51.992 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.1342","0.0831","","0.2353","0.1829","0.2353","","","","","","1.0193","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125256","8.6153","0.0002","14.6367","0.0003","18.1464","0.0005","91.7994","0.0009","103.25","0.001","102.478","0.0008","2166.84","0.09","150","","150","","","","","","","","complexation","5","P -1","-P 1","2","","","","- C42 H56 F N9 O10 -","- C42 H56.002 F N9 O10 -","- C84 H112.004 F2 N18 O20 -","2","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.079","0.05","","0.1431","0.1158","0.1431","","","","","","0.952","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125257","13.0796","0.0001","15.7385","0.0002","25.2838","0.0003","90","","102.008","0.001","90","","5090.86","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C216 H336 F4 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0605","0.0567","","0.1536","0.1498","0.1535","","","","","","0.9897","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125258","24.017","0.0004","14.3831","0.0002","26.8362","0.0004","90","","121.301","0.002","90","","7921","0.3","150","","150","","","","","","","","complexation","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 F N5 O2 -","- C42 H60 F N5 O2 -","- C336 H480 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0503","0.0394","","0.1002","0.0935","0.1002","","","","","","0.9715","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125259","23.8541","0.0002","15.0254","0.0002","25.4496","0.0003","90","","107.328","0.0004","90","","8707.59","0.17","150","","150","","","","","","","","complexation","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 F N5 O2 -","- C46 H68 F N5 O2 -","- C368 H544 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.0964","0.0573","","0.129","0.1154","0.129","","","","","","0.99","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125260","23.627","0.0008","15.1483","0.0004","26.7686","0.0011","90","","110.213","0.005","90","","8990.7","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 F N5 O6 -","- C46 H68 F N5 O6 -","- C368 H544 F8 N40 O48 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.1068","0.0925","","0.2561","0.245","0.2559","","","","","","1.0021","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125261","23.8256","0.0002","14.9792","0.0001","25.1935","0.0002","90","","107.918","0.0009","90","","8555.2","0.12","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Cl4 F N5 O2 -","- C42 H56 Cl4 F N5 O2 -","- C336 H448 Cl32 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.034","0.0318","","0.0843","0.0822","0.0843","","","","","","0.9901","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125262","12.8854","0.0001","16.5136","0.0001","26.1896","0.0002","90","","98.5587","0.0007","90","","5510.68","0.07","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C58 H92 F N5 O2 -","- C58 H92 F N5 O2 -","- C232 H368 F4 N20 O8 -","4","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5419","CuKα","","0.0586","0.0558","","0.1691","0.1654","0.1689","","","","","","0.9959","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125263","13.2102","0.0003","14.734","0.0003","21.0702","0.0005","90","","96.2452","0.001","90","","4076.75","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 F5 N5 O2 -","- C42 H56 F5 N5 O2 -","- C168 H224 F20 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.1065","0.0561","","0.1181","0.1027","0.1181","","","","","","0.9679","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125264","36.1165","0.0004","36.1165","0.0004","45.7915","0.0005","90","","90","","120","","51728.1","1","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C1944 H3024 F36 N180 O72 -","36","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.1558","0.0971","","0.128","0.0863","0.0863","","","","","","1.148","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125265","24.2255","0.0006","8.1758","0.0002","16.4519","0.0005","90","","99.107","0.003","90","","3217.43","0.15","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 F I2 N3 O2 -","- C29 H48 F I2 N3 O2 -","- C116 H192 F4 I8 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.025","0.0249","","0.0663","0.0662","0.0663","","","","","","1.0075","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125266","23.8588","0.0006","8.1744","0.0002","16.1922","0.0004","90","","96.692","0.003","90","","3136.47","0.14","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H48 Br2 F N3 O2 -","- C29 H48 Br2 F N3 O2 -","- C116 H192 Br8 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0359","0.0344","","0.0893","0.0882","0.0893","","","","","","0.9995","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125267","12.3667","0.00006","17.56165","0.00009","15.47775","0.00008","90","","94.266","0.0005","90","","3352.14","0.03","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 F N3 O2 -","- C33 H58 F N3 O2 -","- C132 H232 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.129","0.1225","","0.5489","0.5334","0.5489","","","","","","2.9913","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125268","15.9606","0.0005","17.2439","0.0004","26.6482","0.0008","90","","103.648","0.003","90","","7127.1","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 F N3 O2 -","- C35 H62 F N3 O2 -","- C280 H496 F8 N24 O16 -","8","2","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0933","0.0606","","0.1795","0.1517","0.1791","","","","","","0.9713","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125269","13.7989","0.0002","17.0778","0.0003","15.4612","0.0003","90","","104.548","0.0006","90","","3526.69","0.11","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Br2 Cl2 F N3 O2 -","- C30 H50 Br2 Cl2 F N3 O2 -","- C120 H200 Br8 Cl8 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","0.71073","MoKα","","0.0716","0.0488","","0.1108","0.1036","0.1108","","","","","","0.9621","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125270","22.8897","0.0002","15.1701","0.0001","24.7223","0.0002","90","","90","","90","","8584.55","0.12","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H50 Cl2 F N7 O3 -","- C44 H50 Cl2 F N7 O3 -","- C352 H400 Cl16 F8 N56 O24 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0598","0.0518","","0.1536","0.1457","0.1528","","","","","","0.9797","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125271","12.4349","0.0002","22.5589","0.0003","15.525","0.0002","90","","90.6731","0.0012","90","","4354.74","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 F N7 O3 -","- C47 H56 F N7 O3 -","- C188 H224 F4 N28 O12 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0487","0.038","","0.1008","0.0923","0.1008","","","","","","0.9851","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125272","14.2788","0.0001","15.3802","0.0002","22.0076","0.0002","90","","95.0763","0.0009","90","","4814.15","0.08","150","","150","","","","","","","","complexation","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 F N3 O2 -","- C56 H70 F N3 O2 -","- C224 H280 F4 N12 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0476","0.0392","","0.1037","0.097","0.1037","","","","","","0.9721","","","","has coordinates,has disorder","187929","2020-10-21","18:00:00",""
"4125273","12.6627","0.0004","14.9489","0.0005","15.037","0.0004","114.772","0.003","103.341","0.003","94.373","0.003","2466.09","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 F5 N5 O5 -","- C52 H64 F5 N5 O5 -","- C104 H128 F10 N10 O10 -","2","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0416","0.0381","","0.1032","0.1","0.1032","","","","","","0.9937","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125274","17.3563","0.0004","15.9395","0.0003","17.7772","0.0004","90","","108.149","0.002","90","","4673.4","0.18","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Cl4 F N5 O4 -","- C48 H56 Cl4 F N5 O4 -","- C192 H224 Cl16 F4 N20 O16 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0826","0.078","","0.293","0.2897","0.293","","","","","","1.0047","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125275","22.2441","0.0016","8.1479","0.0004","20.0331","0.0017","90","","120.67","0.01","90","","3123","0.5","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H52 F N3 O4 -","- C32 H52 F N3 O4 -","- C128 H208 F4 N12 O16 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0247","0.0246","","0.0677","0.0676","0.0677","","","","","","1.0019","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125276","13.071","0.004","15.712","0.005","25.244","0.008","90","","101.98","0.02","90","","5071","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H84 F N5 O2 -","- C54 H84 F N5 O2 -","- C216 H336 F4 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","","neutron","","0.0764","0.0764","","","0.1893","0.1893","","","","","","1.056","","","","has coordinates,has disorder","211412","2020-10-21","18:00:00",""
"4125277","23.787","0.007","14.962","0.005","25.156","0.008","90","","107.93","0.02","90","","8518","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Cl4 F N5 O2 -","- C42 H56 Cl4 F N5 O2 -","- C336 H448 Cl32 F8 N40 O16 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","","neutron","","0.0929","0.0929","","","0.2381","0.2381","","","","","","1.067","","","","has coordinates","211412","2020-10-21","18:00:00",""
"4125278","13.209","0.004","14.686","0.006","21.024","0.008","90","","96.11","0.03","90","","4055","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 F5 N5 O2 -","- C42 H56 F5 N5 O2 -","- C168 H224 F20 N20 O8 -","4","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","","neutron","","0.1031","0.1031","","","0.2639","0.2639","","","","","","1.319","","","","has coordinates","211412","2020-10-21","18:00:00",""
"4125279","12.518","0.008","7.417","0.004","13.997","0.009","90","","115.009","0.01","90","","1177.7","1.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H20 Cl N O4 -","- C8 H20 Cl N O4 -","- C32 H80 Cl4 N4 O16 -","4","1","","Ye, Heng-Yun; Ge, Jia-Zhen; Tang, Yuan-Yuan; Li, Peng-Fei; Zhang, Yi; You, Yu-Meng; Xiong, Ren-Gen","Molecular Ferroelectric with Most Equivalent Polarization Directions Induced by the Plastic Phase Transition.","Journal of the American Chemical Society","2016","138","40","13175","","10.1021/jacs.6b08817","","","0.71073","MoKα","","0.0572","0.0507","","","0.1156","0.1198","","","","","","1.058","","","","has coordinates","187930","2020-10-21","18:00:00",""
"4125280","11.9958","0.0012","16.3222","0.0015","10.2282","0.001","90","","108.225","0.003","90","","1902.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Bloch, Witold M.; Abe, Yoko; Holstein, Julian J.; Wandtke, Claudia M.; Dittrich, Birger; Clever, Guido H.","Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage.","Journal of the American Chemical Society","2016","138","41","13750","","10.1021/jacs.6b08694","","","0.71073","MoKα","","0.0567","0.044","","","0.1251","0.1366","","","","","","1.052","","","","has coordinates","187906","2020-10-21","18:00:00",""
"4125281","23.187","0.007","73.53","0.02","23.314","0.007","90","","117.719","0.009","90","","35187","18","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C164 H124 B4 F16 N12 O4 Pd2 -","- C164 H124 B4 F16 N12 O4 Pd2 -","- C656 H496 B16 F64 N48 O16 Pd8 -","4","0.5","","Bloch, Witold M.; Abe, Yoko; Holstein, Julian J.; Wandtke, Claudia M.; Dittrich, Birger; Clever, Guido H.","Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage.","Journal of the American Chemical Society","2016","138","41","13750","","10.1021/jacs.6b08694","","","1.54178","CuKα","","0.1739","0.124","","","0.3429","0.3811","","","","","","1.429","","","","has coordinates","187906","2020-10-21","18:00:00",""
"4125283","43.9606","0.001","24.3886","0.0007","9.838","0.0002","90","","90","","90","","10547.7","0.4","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C162 H76 -","- C161.5 H76 -","- C646 H304 -","4","0.5","","Lee, Semin; Chénard, Etienne; Gray, Danielle L.; Moore, Jeffrey S.","Synthesis of Cycloparaphenyleneacetylene via Alkyne Metathesis: C70 Complexation and Copper-Free Triple Click Reaction.","Journal of the American Chemical Society","2016","138","42","13814","","10.1021/jacs.6b08752","","","0.71073","MoKα","","0.0964","0.0766","","","0.2054","0.217","","","","","","1.261","","","","has coordinates,has disorder","187932","2020-10-21","18:00:00",""
"4125284","8.7705","0.0003","11.8484","0.0005","16.7993","0.0006","90","","90","","90","","1745.72","0.11","150","2","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H26 O2 Si -","- C18 H26 O2 Si -","- C72 H104 O8 Si4 -","4","1","","Xue, Weichao; Qu, Zheng-Wang; Grimme, Stefan; Oestreich, Martin","Copper-Catalyzed Cross-Coupling of Silicon Pronucleophiles with Unactivated Alkyl Electrophiles Coupled with Radical Cyclization.","Journal of the American Chemical Society","2016","138","43","14222","14225","10.1021/jacs.6b09596","","x-ray","1.54184","CuKα","","0.0387","0.0345","","","0.0816","0.0912","","","","","","1.057","","","","has coordinates","187909","2020-10-21","18:00:00",""
"4125285","8.751","0.0012","8.751","0.0012","5.8981","0.0012","90","","90","","120","","391.16","0.11","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- B Bi3 O9 Te -","- B Bi3 O9 Te -","- B2 Bi6 O18 Te2 -","2","0.333333","","Xia, Mingjun; Jiang, Xingxing; Lin, Zheshuai; Li, Rukang","""All-Three-in-One"": A New Bismuth-Tellurium-Borate Bi3TeBO9 Exhibiting Strong Second Harmonic Generation Response.","Journal of the American Chemical Society","2016","138","43","14190","14193","10.1021/jacs.6b08813","","","0.71073","MoKα","","0.0275","0.025","","","0.0465","0.0469","","","","","","0.985","","","","has coordinates","187913","2020-10-21","18:00:00",""
"4125286","9.87","0.002","33.746","0.004","9.87","0.002","90","","106.454","0.003","90","","3152.8","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C144 H136 Br8 O16 -","8","4","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Enantioselective Formation of All-Carbon Quaternary Centers via C-H Functionalization of Methanol: Iridium-Catalyzed Diene Hydrohydroxymethylation.","Journal of the American Chemical Society","2016","138","43","14210","14213","10.1021/jacs.6b09333","","","0.71073","MoKα","","0.0864","0.049","","","0.0829","0.0918","","","","","","0.96","","","","has coordinates,has disorder","187910","2020-10-21","18:00:00",""
"4125287","12.74","0.002","15.43","0.003","14.863","0.003","90","","96.496","0.004","90","","2903","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Co N7 O5 -","- C32 H26 Co N7 O5 -","- C128 H104 Co4 N28 O20 -","4","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.0765","0.0466","","","0.0998","0.1123","","","","","","1.035","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125288","11.6313","0.0009","11.6947","0.0009","12.0054","0.001","115.424","0.001","92.168","0.001","97.853","0.001","1452.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 Cl2 Co N7 O9 -","- C23 H30 Cl2 Co N7 O9 -","- C46 H60 Cl4 Co2 N14 O18 -","2","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.1175","0.0926","","","0.2364","0.2655","","","","","","1.109","","","","has coordinates,has disorder","187912","2020-10-21","18:00:00",""
"4125289","8.766","0.005","10.31","0.006","11.915","0.007","69.468","0.008","76.746","0.01","71.536","0.01","948","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Co N3 O4 -","- C19 H23 Co N3 O4 -","- C38 H46 Co2 N6 O8 -","2","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.1057","0.0782","","","0.1997","0.2212","","","","","","1.012","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125290","11.9362","0.0008","20.3758","0.0013","12.2543","0.0008","90","","114.515","0.001","90","","2711.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Cl2 Co N6 O8 -","- C23 H29 Cl2 Co N6 O8 -","- C92 H116 Cl8 Co4 N24 O32 -","4","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.0515","0.0466","","","0.1129","0.116","","","","","","1.091","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125291","9.6236","0.0009","16.615","0.0016","11.8767","0.0011","90","","91.405","0.002","90","","1898.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cl2 N3 O Rh -","- C18 H24 Cl2 N3 O Rh -","- C72 H96 Cl8 N12 O4 Rh4 -","4","1","","Planas, Oriol; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Gamba, Ilaria; Luis, Josep M.; Parella, Teodor; Company, Anna; Ribas, Xavi","Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt-Catalyzed C(sp(2))-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms.","Journal of the American Chemical Society","2016","138","43","14388","14397","10.1021/jacs.6b08593","","","0.71073","MoKα","","0.0301","0.0267","","","0.0643","0.0661","","","","","","1.084","","","","has coordinates","187912","2020-10-21","18:00:00",""
"4125292","15.4764","0.0005","15.4764","0.0005","40.5896","0.0019","90","","90","","90","","9722","0.6","100","2","99.99","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C48 H36 Cl2 N4 O10 -","- C48 H36 Cl2 N4 O10 -","- C384 H288 Cl16 N32 O80 -","8","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.1227","0.0768","","","0.2017","0.2251","","","","","","0.954","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125293","15.4749","0.0005","15.4749","0.0005","40.5132","0.0015","90","","90","","90","","9701.8","0.6","100","2","100","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C47 H34 Cl N4 O10 -","- C47 H34 Cl N4 O10 -","- C376 H272 Cl8 N32 O80 -","8","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.1184","0.0918","","","0.2667","0.288","","","","","","1.049","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125294","32.045","0.004","8.258","0.0009","14.0706","0.0015","90","","97.5","0.003","90","","3691.6","0.7","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C45 H36 N4 O9 -","- C45 H36 N4 O9 -","- C180 H144 N16 O36 -","4","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.0375","0.0372","","","0.1004","0.1008","","","","","","1.053","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4125295","10.9732","0.001","16.0101","0.0014","15.5863","0.0014","90","","94.993","0.003","90","","2727.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 O4 -","- C32 H38 O4 -","- C128 H152 O16 -","4","1","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0389","0.0386","","","0.0952","0.0955","","","","","","1.046","","","","has coordinates,has disorder","189944","2020-10-21","18:00:00",""
"4125296","23.1187","0.0004","7.8379","0.0002","15.2175","0.0003","90","","90","","90","","2757.44","0.1","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C32 H38 O4 -","- C32 H38 O4 -","- C128 H152 O16 -","4","1","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0299","0.0294","","","0.0769","0.0772","","","","","","1.044","","","","has coordinates","189944","2020-10-21","18:00:00",""
"4125297","14.1854","0.0002","19.4283","0.0003","19.7516","0.0003","90","","102.419","0.001","90","","5316.13","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 O4 -","- C30 H36 O4 -","- C240 H288 O32 -","8","2","","Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A","Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.","Journal of the American Chemical Society","2016","138","44","14789","14797","10.1021/jacs.6b09727","","","1.54178","CuKα","","0.0437","0.0411","","","0.1068","0.1094","","","","","","1.044","","","","has coordinates,has disorder","189944","2020-10-21","18:00:00",""
"4125298","7.635","0.0013","9.2691","0.0016","14.887","0.003","89.64","0.003","79.774","0.003","70.461","0.003","975.5","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 B Cl N -","- C10 H11 B Cl N -","- C40 H44 B4 Cl4 N4 -","4","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0548","0.0488","","","0.1344","0.1426","","","","","","0.98","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125299","11.7894","0.0015","6.7732","0.0009","21.252","0.003","90","","96.611","0.002","90","","1685.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 B O2 -","- C17 H29 B O2 -","- C68 H116 B4 O8 -","4","1","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0584","0.042","","","0.0965","0.1055","","","","","","1.027","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125300","7.1599","0.0003","17.614","0.0008","33.0261","0.0015","90","","90.955","0.002","90","","4164.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N O4 -","- C22 H28 B N O4 -","- C176 H224 B8 N8 O32 -","8","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","1.54178","CuKα","","0.036","0.0344","","","0.0863","0.0878","","","","","","1.008","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125301","12.0431","0.0009","15.597","0.0012","23.7704","0.0017","85.72","0.003","89.462","0.003","87.941","0.004","4449.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H51 B N O P Pd -","- C54 H51 B N O P Pd -","- C216 H204 B4 N4 O4 P4 Pd4 -","4","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","1.54178","CuKα","","0.0697","0.0617","","","0.1714","0.1838","","","","","","1.06","","","","has coordinates,has disorder","189945","2020-10-21","18:00:00",""
"4125302","8.2753","0.0008","23.637","0.003","15.5395","0.0016","90","","91.454","0.0018","90","","3038.6","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C128 H168 B8 O16 -","8","2","","Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan","Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex.","Journal of the American Chemical Society","2016","138","44","14566","14569","10.1021/jacs.6b09759","","","0.71073","MoKα","","0.0378","0.0352","","","0.089","0.0907","","","","","","1.033","","","","has coordinates","189945","2020-10-21","18:00:00",""
"4125309","10.6286","0.0006","8.0267","0.0004","13.8441","0.0007","90","","110.892","0.003","90","","1103.43","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cpting-07281-Pure","maimone77","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0434","0.036","","","0.0913","0.0961","","","","","","1.042","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125310","19.372","0.0012","7.4505","0.0005","19.2839","0.0011","90","","99.679","0.002","90","","2743.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","XG-I-41","maimone74","","- C28 H48 O4 Si -","- C28 H48 O4 Si -","- C112 H192 O16 Si4 -","4","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","0.71073","MoKα","","0.0609","0.0459","","","0.1079","0.1161","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125311","11.4542","0.0009","18.779","0.0015","9.4302","0.0007","90","","90","","90","","2028.4","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","Cpting-07262-Pure1","maimone76","","- C11 H16 O3 -","- C11 H16 O3 -","- C88 H128 O24 -","8","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0343","0.0336","","","0.0903","0.0911","","","","","","1.076","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125312","9.2723","0.0006","24.6156","0.0016","10.9526","0.0007","90","","110.088","0.003","90","","2347.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","XG-I-186-1","maimone82","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.","Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.","Journal of the American Chemical Society","2016","138","45","14868","14871","10.1021/jacs.6b10397","","","1.54178","CuKα","","0.0387","0.037","","","0.0921","0.0937","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125313","40.575","0.004","8.4965","0.0007","23.441","0.002","90","","103.327","0.0016","90","","7863.6","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H55 Cl N2 O W -","- C42.5 H55 Cl N2 O W -","- C340 H440 Cl8 N16 O8 W8 -","8","1","","Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.","Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.","Journal of the American Chemical Society","2016","138","48","15774","15783","10.1021/jacs.6b10499","","","0.71073","MoKα","","0.0281","0.0249","","","0.0519","0.0529","","","","","","1.138","","","","has coordinates,has disorder","189941","2020-10-21","18:00:00",""
"4125314","12.9558","0.0011","27.591","0.002","20.4711","0.0016","90","","94.7881","0.0016","90","","7292.1","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Cl F5 Mo N O P -","- C60 H72 Cl F5 Mo N O P -","- C240 H288 Cl4 F20 Mo4 N4 O4 P4 -","4","1","","Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.","Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.","Journal of the American Chemical Society","2016","138","48","15774","15783","10.1021/jacs.6b10499","","","0.71073","MoKα","","0.0437","0.0317","","","0.0754","0.0809","","","","","","1.014","","","","has coordinates,has disorder","189941","2020-10-21","18:00:00",""
"4125315","20.729","0.005","11.107","0.002","21.689","0.005","90","","110.024","0.004","90","","4691.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H63 Cl Mo N2 O -","- C51 H63 Cl Mo N2 O -","- C204 H252 Cl4 Mo4 N8 O4 -","4","1","","Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.","Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.","Journal of the American Chemical Society","2016","138","48","15774","15783","10.1021/jacs.6b10499","","","0.71073","MoKα","","0.0317","0.0261","","","0.0651","0.0688","","","","","","1.028","","","","has coordinates,has disorder","189941","2020-10-21","18:00:00",""
"4125316","5.827","0.003","18.141","0.006","14.817","0.006","90","","98.777","0.009","90","","1547.9","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Wang, Xueqiang; Nakajima, Masaki; Serrano, Eloisa; Martin, Ruben","Alkyl Bromides as Mild Hydride Sources in Ni-Catalyzed Hydroamidation of Alkynes with Isocyanates.","Journal of the American Chemical Society","2016","138","48","15531","15534","10.1021/jacs.6b10351","","","0.7107","MoKα","","0.0596","0.0565","","","0.1429","0.1442","","","","","","1.027","","","","has coordinates","189942","2020-10-21","18:00:00",""
"4125320","4.9106","0.0002","12.146","0.0004","20.1647","0.0006","90","","90","","90","","1202.71","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 9g","compound 9g","","- C16 H10 F N O -","- C16 H10 F N O -","- C64 H40 F4 N4 O4 -","4","1","","Jiao, Zhiwei; Beiger, Jason J.; Jin, Yushu; Ge, Shaozhong; Zhou, Jianrong Steve; Hartwig, John F.","Palladium-Catalyzed Enantioselective α-Arylation of α-Fluoroketones.","Journal of the American Chemical Society","2016","138","49","15980","15986","10.1021/jacs.6b09580","","","1.54178","CuKα","","0.0283","0.0272","","","0.0714","0.0724","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125321","13.5754","0.0009","20.2128","0.0013","22.6448","0.0014","90","","98.582","0.003","90","","6144.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Ph3CO)4(DME)U","Tetrakis(triphenylmethoxy) uranium(IV) DME adduct","","- C80 H70 O6 U -","- C80 H70 O6 U -","- C320 H280 O24 U4 -","4","1","","Boreen, Michael A.; Parker, Bernard F.; Lohrey, Trevor D.; Arnold, John","A Homoleptic Uranium(III) Tris(aryl) Complex.","Journal of the American Chemical Society","2016","138","49","15865","15868","10.1021/jacs.6b11182","","","0.7749","synchrotron","","0.0235","0.0195","","","0.0461","0.0476","","","","","","1.054","","","","has coordinates,has disorder","288178","2023-12-08","09:50:54",""
"4125322","52.7","0.002","14.4721","0.0006","19.1774","0.0007","90","","93.313","0.002","90","","14601.8","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(Terph)3U","Tris[2,6-bis(4-tert-butylphenyl)phenyl] uranium(III)","","- C87 H108 U -","- C87 H108 U -","- C696 H864 U8 -","8","1","","Boreen, Michael A.; Parker, Bernard F.; Lohrey, Trevor D.; Arnold, John","A Homoleptic Uranium(III) Tris(aryl) Complex.","Journal of the American Chemical Society","2016","138","49","15865","15868","10.1021/jacs.6b11182","","","0.71073","MoKα","","0.0375","0.0297","","","0.0657","0.069","","","","","","1.067","","","","has coordinates,has disorder","189946","2020-10-21","18:00:00",""
"4125325","8.3035","0.0002","21.4423","0.0006","26.1632","0.0007","90","","90","","90","","4658.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_LIT_1_TBS","maimone91","","- C16 H24 O5 -","- C16 H24 O5 -","- C192 H288 O60 -","12","3","","Hung, Kevin; Condakes, Matthew L.; Morikawa, Takahiro; Maimone, Thomas J.","Oxidative Entry into the Illicium Sesquiterpenes: Enantiospecific Synthesis of (+)-Pseudoanisatin.","Journal of the American Chemical Society","2016","138","51","16616","16619","10.1021/jacs.6b11739","","","1.54178","CuKα","","0.045","0.0407","","","0.0873","0.0892","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125326","6.1706","0.0005","13.4053","0.001","18.2977","0.0013","90","","90","","90","","1513.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MLC-IV-252","maimone78","","- C16 H26 O5 -","- C16 H26 O5 -","- C64 H104 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Morikawa, Takahiro; Maimone, Thomas J.","Oxidative Entry into the Illicium Sesquiterpenes: Enantiospecific Synthesis of (+)-Pseudoanisatin.","Journal of the American Chemical Society","2016","138","51","16616","16619","10.1021/jacs.6b11739","","","1.54178","CuKα","","0.0256","0.0255","","","0.0671","0.0672","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125327","48.842","0.008","48.842","0.008","48.842","0.008","90","","90","","90","","116515","3","296","2","296","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- C366 H192 O66 Zr13 -","- C366 H192 O66 Zr13 -","- C1464 H768 O264 Zr52 -","4","0.0833333","","Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian","Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers","Journal of the American Chemical Society","2016","138","27","8380","8383","10.1021/jacs.6b04608","","","0.41328","Synchrotron","","0.1453","0.1056","","","0.3037","0.3258","","","","","","1.168","","","","has coordinates","275237","2022-05-09","00:23:28",""
"4125328","49.365","0.003","49.365","0.003","49.365","0.003","90","","90","","90","","120298","13","296","2","296","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C360 H96 B6 F84 O57 Zr13 -","- C360 H96 B6 F84 O57 Zr13 -","- C1440 H384 B24 F336 O228 Zr52 -","4","0.0833333","","Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian","Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers","Journal of the American Chemical Society","2016","138","27","8380","8383","10.1021/jacs.6b04608","","","0.41328","Synchrotron","","0.1812","0.1365","","","0.3015","0.3245","","","","","","1.555","","","","has coordinates","275237","2022-05-09","00:23:29",""
"4125329","30.7484","0.0006","14.2752","0.0003","27.7281","0.0008","90","","110.609","0.003","90","","11392.1","0.5","85","1","85","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C184 H94 Cl Co2 N P2 -","- C184 H94 Cl Co2 N P2 -","- C736 H376 Cl4 Co8 N4 P8 -","4","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Spin Crossover in Anionic Cobalt-Bridged Fullerene (Bu4N(+)){Co(Ph3P)}2(μ2-Cl(-))(μ2-η(2),η(2)-C60)2 Dimers.","Journal of the American Chemical Society","2016","138","51","16592","16595","10.1021/jacs.6b09890","","x-ray","0.71073","MoKα","","0.0668","0.0532","","","0.1323","0.1401","","","","","","1.045","","","","has coordinates,has disorder","189940","2020-10-21","18:00:00",""
"4125330","30.8484","0.0014","14.3774","0.0007","27.9871","0.0013","90","","111.063","0.001","90","","11583.5","0.9","300","1","300","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C184 H94 Cl Co2 N P2 -","- C184.012 H94.028 Cl Co2 N P2 -","- C736.048 H376.112 Cl4 Co8 N4 P8 -","4","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Spin Crossover in Anionic Cobalt-Bridged Fullerene (Bu4N(+)){Co(Ph3P)}2(μ2-Cl(-))(μ2-η(2),η(2)-C60)2 Dimers.","Journal of the American Chemical Society","2016","138","51","16592","16595","10.1021/jacs.6b09890","","x-ray","0.71073","MoKα","","0.0992","0.0521","","","0.1211","0.1446","","","","","","1.033","","","","has coordinates,has disorder","189940","2020-10-21","18:00:00",""
"4125398","7.5808","0.0007","8.0566","0.0007","9.5091","0.0009","65.799","0.003","69.047","0.004","67.515","0.003","475.36","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F4 N3 S2 -","- C8 F4 N3 S2 -","- C16 F8 N6 S4 -","2","1","","Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M.","Studies on a ""Disappearing Polymorph"": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•).","Journal of the American Chemical Society","2016","138","51","16779","16786","10.1021/jacs.6b10707","","","0.71073","MoKα","","0.0671","0.0628","","","0.1833","0.1865","","","","","","1.207","","","","has coordinates","189857","2020-10-21","18:00:00",""
"4125399","7.7121","0.0012","8.0974","0.0013","9.705","0.0016","65.868","0.009","67.908","0.009","67.474","0.009","493.28","0.14","323","2","323","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F4 N3 S2 -","- C8 F4 N3 S2 -","- C16 F8 N6 S4 -","2","1","","Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M.","Studies on a ""Disappearing Polymorph"": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•).","Journal of the American Chemical Society","2016","138","51","16779","16786","10.1021/jacs.6b10707","","","0.71073","MoKα","","0.0656","0.061","","","0.1399","0.1421","","","","","","1.294","","","","has coordinates","189857","2020-10-21","18:00:00",""
"4125400","7.755","0.008","8.128","0.012","9.746","0.015","65.67","0.11","67.56","0.09","67.47","0.08","498.4","1.3","343","2","343","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 F4 N3 S2 -","- C8 F4 N3 S2 -","- C16 F8 N6 S4 -","2","1","","Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M.","Studies on a ""Disappearing Polymorph"": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•).","Journal of the American Chemical Society","2016","138","51","16779","16786","10.1021/jacs.6b10707","","","0.71073","MoKα","","0.0814","0.0752","","","0.2008","0.2054","","","","","","1.185","","","","has coordinates","189857","2020-10-21","18:00:00",""
"4125401","8.0412","0.0003","11.639","0.0005","11.9019","0.0005","102.909","0.003","99.46","0.003","101.377","0.003","1038.8","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H56 Si2 -","- C50 H56 Si2 -","- C50 H56 Si2 -","1","0.5","","Frederickson, Conerd K.; Zakharov, Lev N.; Haley, Michael M.","Modulating Paratropicity Strength in Diareno-Fused Antiaromatics.","Journal of the American Chemical Society","2016","138","51","16827","16838","10.1021/jacs.6b11397","","","1.54178","CuKα","","0.0559","0.0477","","","0.1292","0.137","","","","","","1.042","","","","has coordinates","189858","2020-10-21","18:00:00",""
"4125402","8.0881","0.0005","25.6677","0.0015","10.3505","0.0006","90","","104.61","0.004","90","","2079.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Si2 -","- C50 H56 Si2 -","- C100 H112 Si4 -","2","0.5","","Frederickson, Conerd K.; Zakharov, Lev N.; Haley, Michael M.","Modulating Paratropicity Strength in Diareno-Fused Antiaromatics.","Journal of the American Chemical Society","2016","138","51","16827","16838","10.1021/jacs.6b11397","","","1.54178","CuKα","","0.1168","0.0627","","","0.1389","0.1628","","","","","","1.053","","","","has coordinates","189859","2020-10-21","18:00:00",""
"4125403","11.2015","0.001","12.9974","0.0012","18.0731","0.0016","90","","104.897","0.001","90","","2542.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[MeO2NN]Cu-tol","","- C28 H33 Cu N2 O4 -","- C28 H33 Cu N2 O4 -","- C112 H132 Cu4 N8 O16 -","4","1","","Salvador, Tolani K.; Arnett, Charles H.; Kundu, Subrata; Sapiezynski, Nicholas G.; Bertke, Jeffery A.; Raghibi Boroujeni, Mahdi; Warren, Timothy H.","Copper Catalyzed sp(3) C-H Etherification with Acyl Protected Phenols.","Journal of the American Chemical Society","2016","138","51","16580","16583","10.1021/jacs.6b09057","","","0.71073","MoKα","","0.0689","0.0634","","","0.1962","0.1992","","","","","","1.05","","","","has coordinates,has disorder","189860","2020-10-21","18:00:00",""
"4125404","13.8733","0.0005","19.3641","0.0007","26.6621","0.0009","90","","90.73","0.002","90","","7162","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[MeO2NN]CuOtBu","","- C33 H52 Cu N2 O7 -","- C33 H52 Cu N2 O7 -","- C264 H416 Cu8 N16 O56 -","8","2","","Salvador, Tolani K.; Arnett, Charles H.; Kundu, Subrata; Sapiezynski, Nicholas G.; Bertke, Jeffery A.; Raghibi Boroujeni, Mahdi; Warren, Timothy H.","Copper Catalyzed sp(3) C-H Etherification with Acyl Protected Phenols.","Journal of the American Chemical Society","2016","138","51","16580","16583","10.1021/jacs.6b09057","","","0.71073","MoKα","","0.1322","0.061","","","0.1307","0.1596","","","","","","1.04","","","","has coordinates,has disorder","189861","2020-10-21","18:00:00",""
"4125405","11.4951","0.0008","6.5903","0.0005","12.7868","0.0009","90","","105.513","0.003","90","","933.39","0.12","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 -","- C20 H34 O5 -","- C40 H68 O10 -","2","1","","Rudolf, Jeffrey D.; Dong, Liao-Bin; Manoogian, Karina; Shen, Ben","Biosynthetic Origin of the Ether Ring in Platensimycin.","Journal of the American Chemical Society","2016","138","51","16711","16721","10.1021/jacs.6b09818","","","0.71073","MoKα","","0.0548","0.0473","","","0.1201","0.1266","","","","","","1.062","","","","has coordinates","189862","2020-10-21","18:00:00",""
"4129178","8.2876","0.0005","9.3557","0.0006","15.1595","0.001","87.08","0.005","81.883","0.005","73.572","0.005","1116.06","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H54 N2 O12 S2 -","- C48 H54 N2 O12 S2 -","- C48 H54 N2 O12 S2 -","1","1","","Jin-Zheng Wang; Jin Zhou; Chang Xu; Hongbin Sun; Laszlo Kurti; Qing-Long Xu","Symmetry in Cascade Chirality-Transfer Processes: A Catalytic Atroposelective Direct Arylation Approach to BINOL Derivatives","Journal of the American Chemical Society","2016","138","","5202","5205","10.1021/jacs.6b01458","","","1.54184","CuKα","","0.0359","0.033","","","0.0851","0.0872","","","","","","1.032","","","","has coordinates","231086","2020-10-21","18:00:00",""
"4129529","11.2684","0.0018","14.392","0.002","17.841","0.003","87.899","0.004","88.397","0.005","69.307","0.004","2704.5","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Se2 Si6 Th -","- C32 H78 K N3 O6.5 Se2 Si6 Th -","- C64 H156 K2 N6 O13 Se4 Si12 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.0654","0.0433","","","0.0927","0.1003","","","","","","1.01","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129530","12.8643","0.0013","18.9142","0.0019","21.813","0.002","91.704","0.003","106.371","0.003","92.124","0.003","5084.3","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 Se Si6 Th -","- C30 H78 K N3 O6 Se Si6 Th -","- C120 H312 K4 N12 O24 Se4 Si24 Th4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.0884","0.0484","","","0.0948","0.1093","","","","","","1.001","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129531","11.1836","0.0015","14.689","0.002","17.923","0.002","88.665","0.003","89.012","0.003","69.407","0.003","2755.3","0.6","104","2","104","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Si6 Te2 Th -","- C32 H78 K N3 O6.5 Si6 Te2 Th -","- C64 H156 K2 N6 O13 Si12 Te4 Th2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.0387","0.0303","","","0.0681","0.0715","","","","","","1.018","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129532","11.5257","0.0008","22.5872","0.0016","43.507","0.003","102.717","0.003","93.748","0.003","101.784","0.003","10743.2","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Si6 Te Th -","- C32 H78 K N3 O6.5 Si6 Te Th -","- C256 H624 K8 N24 O52 Si48 Te8 Th8 -","8","4","","Smiles, Danil E.; Wu, Guang; Hrobárik, Peter; Hayton, Trevor W.","Use of (77)Se and (125)Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3](-) (E = Se, Te; n = 1, 2) and Their Oxo-Uranium(VI) Congeners.","Journal of the American Chemical Society","2016","138","3","814","825","10.1021/jacs.5b07767","","","0.71073","MoKα","","0.1378","0.1231","","","0.2642","0.2716","","","","","","1.072","","","","has coordinates","240236","2020-10-21","18:00:00",""
"4129701","8.6338","0.0006","40.258","0.004","9.8293","0.0006","90","","90","","90","","3416.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H53 N O3 Si2 -","- C32 H53 N O3 Si2 -","- C128 H212 N4 O12 Si8 -","4","1","","Liu, Zengjin; Lin, Xinglong; Yang, Na; Su, Zhishan; Hu, Changwei; Xiao, Peihong; He, Yanyang; Song, Zhenlei","Unique Steric Effect of Geminal Bis(silane) To Control the High Exo-selectivity in Intermolecular Diels-Alder Reaction.","Journal of the American Chemical Society","2016","138","6","1877","1883","10.1021/jacs.5b09689","","","0.7107","MoKα","","0.1475","0.0744","","","0.1691","0.2154","","","","","","0.917","","","","has coordinates","240371","2020-10-21","18:00:00",""
"4129702","16.5236","0.0009","14.1625","0.0006","17.3391","0.0011","90","","113.66","0.007","90","","3716.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 N2 O7 Si2 -","- C35 H52 N2 O7 Si2 -","- C140 H208 N8 O28 Si8 -","4","1","","Liu, Zengjin; Lin, Xinglong; Yang, Na; Su, Zhishan; Hu, Changwei; Xiao, Peihong; He, Yanyang; Song, Zhenlei","Unique Steric Effect of Geminal Bis(silane) To Control the High Exo-selectivity in Intermolecular Diels-Alder Reaction.","Journal of the American Chemical Society","2016","138","6","1877","1883","10.1021/jacs.5b09689","","","0.71073","MoKα","","0.1158","0.0677","","","0.1512","0.185","","","","","","1.038","","","","has coordinates,has disorder","240372","2020-10-21","18:00:00",""
"4129744","9.024","0.0007","13.945","0.0012","21.3226","0.0018","90","","90","","90","","2683.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 Co N3 -","- C29 H42 Co N3 -","- C116 H168 Co4 N12 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","0.71073","MoKα","","0.0263","0.0244","","","0.0663","0.0671","","","","","","1.071","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129745","7.6454","0.0004","5.5106","0.0003","14.2743","0.0007","90","","91.93","0.002","90","","601.05","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O -","- C16 H16 O -","- C32 H32 O2 -","2","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0297","0.0294","","","0.0804","0.0806","","","","","","1.108","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129746","6.0914","0.0002","7.6445","0.0002","28.3648","0.0009","90","","90","","90","","1320.83","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0274","0.0269","","","0.0671","0.0675","","","","","","1.057","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129747","11.6801","0.0004","16.8701","0.0006","18.0924","0.0006","90","","90","","90","","3565","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C180 H156 Cl12 -","12","3","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0269","0.0264","","","0.0688","0.0699","","","","","","1.042","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129748","5.4967","0.0001","8.2618","0.0002","28.2779","0.0007","90","","90","","90","","1284.17","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O -","- C17 H18 O -","- C68 H72 O4 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0254","0.0245","","","0.0634","0.0639","","","","","","1.066","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129750","9.7066","0.0006","10.7975","0.0007","17.3275","0.0009","73.895","0.005","83.456","0.005","64.558","0.006","1575.54","0.19","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Au F9 O2 P -","- C32 H29 Au F9 O2 P -","- C64 H58 Au2 F18 O4 P2 -","2","1","","García-Domínguez, Patricia; Nevado, Cristina","Au-Pd Bimetallic Catalysis: The Importance of Anionic Ligands in Catalyst Speciation.","Journal of the American Chemical Society","2016","138","10","3266","3269","10.1021/jacs.5b10277","","","0.71073","MoKα","","0.052","0.0424","","","0.1013","0.1067","","","","","","1.14","","","","has coordinates,has disorder","240412","2020-10-21","18:00:00",""
"4129760","10.28","0.003","7.7913","0.0019","6.3715","0.0016","90","","119.12","0.03","90","","445.8","0.2","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Manganese silicon carbide","","","- C4 Mn16 Si -","- C4 Mn16 Si -","- C8 Mn32 Si2 -","2","0.25","","Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C.","Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4.","Journal of the American Chemical Society","2016","138","1","248","256","10.1021/jacs.5b10355","","x-ray","0.71069","MoKα","","0.0466","0.0265","","","0.0459","0.0536","","","","1.11","1.11","1.12","","","","has coordinates","240418","2020-10-21","18:00:00",""
"4129761","6.4114","0.0009","7.6648","0.0005","10.4946","0.0016","90","","106.247","0.013","90","","495.13","0.11","293","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Manganese silicon carbide","","","- C4 Mn17 Si2 -","- C4 Mn17 Si2 -","- C8 Mn34 Si4 -","2","0.5","","Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C.","Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4.","Journal of the American Chemical Society","2016","138","1","248","256","10.1021/jacs.5b10355","","x-ray","0.71073","MoKα","","0.0505","0.0329","","","0.0338","0.0383","","","","1.19","1.19","1.16","","","","has coordinates","240419","2020-10-21","18:00:00",""
"4129767","14.2394","0.0004","26.1832","0.0007","15.1396","0.0004","90","","92.935","0.002","90","","5637.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H58 Cl2 I2 O -","- C63 H58 Cl2 I2 O -","- C252 H232 Cl8 I8 O4 -","4","1","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.0841","0.0496","","","0.1271","0.1484","","","","","","1.032","","","","has coordinates,has disorder","240424","2020-10-21","18:00:00",""
"4129768","21.3286","0.0015","10.7441","0.001","25.2843","0.0015","90","","109.77","0.005","90","","5452.6","0.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 O -","- C62 H58 O -","- C248 H232 O4 -","4","1","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.2417","0.0908","","","0.2146","0.3095","","","","","","0.928","","","","has coordinates,has disorder","240425","2020-10-21","18:00:00",""
"4129769","18.9493","0.0009","21.4331","0.001","14.0256","0.0007","90","","106.246","0.004","90","","5468.9","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H62 Cl2 I2 -","- C63 H62 Cl2 I2 -","- C252 H248 Cl8 I8 -","4","0.5","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.07","0.0662","","","0.1687","0.1724","","","","","","1.148","","","","has coordinates,has disorder","240426","2020-10-21","18:00:00",""
"4129770","10.474","0.002","15.073","0.003","18.188","0.004","90.659","0.006","106.259","0.006","105.609","0.006","2643.2","0.9","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C62 H58 -","- C62 H58 -","- C124 H116 -","2","1","","Liu, Junzhi; Narita, Akimitsu; Osella, Silvio; Zhang, Wen; Schollmeyer, Dieter; Beljonne, David; Feng, Xinliang; Müllen, Klaus","Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2016","138","8","2602","2608","10.1021/jacs.5b10399","","","0.71073","MoKα","","0.3213","0.0948","","","0.2003","0.2929","","","","","","0.885","","","","has coordinates,has disorder","240427","2020-10-21","18:00:00",""
"4129799","10.0441","0.0015","10.5253","0.0016","11.3491","0.0015","78.453","0.008","71.594","0.008","68.025","0.008","1051.1","0.3","223","2","223","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 Mn2 N5 O9 -","- C43 H35 Mn2 N5 O9 -","- C43 H35 Mn2 N5 O9 -","1","0.5","","Foo, Maw Lin; Matsuda, Ryotaro; Hijikata, Yuh; Krishna, Rajamani; Sato, Hiroshi; Horike, Satoshi; Hori, Akihiro; Duan, Jingui; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.","Journal of the American Chemical Society","2016","138","9","3022","3030","10.1021/jacs.5b10491","","","0.71073","MoKα","","","0.1105","","","","0.2503","","","","","","1.256","","","","has coordinates","240454","2020-10-21","18:00:00",""
"4129800","9.296","0.006","10.188","0.007","12.034","0.008","95.769","0.009","99.637","0.003","115.673","0.008","993.3","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N2 O4 -","- C20 H14 Mn N2 O4 -","- C40 H28 Mn2 N4 O8 -","2","1","","Foo, Maw Lin; Matsuda, Ryotaro; Hijikata, Yuh; Krishna, Rajamani; Sato, Hiroshi; Horike, Satoshi; Hori, Akihiro; Duan, Jingui; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.","Journal of the American Chemical Society","2016","138","9","3022","3030","10.1021/jacs.5b10491","","","0.71073","MoKα","","0.0678","0.0581","","","0.1638","0.1759","","","","","","1.225","","","","has coordinates","240454","2020-10-21","18:00:00",""
"4129801","10.0354","0.0007","10.8657","0.0008","10.8045","0.0009","92.238","0.007","98.521","0.005","121.811","0.005","980.45","0.14","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N2 O4 -","- C20 H14 Mn N2 O4 -","- C40 H28 Mn2 N4 O8 -","2","1","","Foo, Maw Lin; Matsuda, Ryotaro; Hijikata, Yuh; Krishna, Rajamani; Sato, Hiroshi; Horike, Satoshi; Hori, Akihiro; Duan, Jingui; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2.","Journal of the American Chemical Society","2016","138","9","3022","3030","10.1021/jacs.5b10491","powder diffraction","","0.8","synchrotron","","","","","","","","","","1.54","","","","","","","has coordinates","240454","2020-10-21","18:00:00",""
"4129802","11.3862","0.0002","21.3855","0.0003","21.4813","0.0003","82.214","0.001","82.982","0.001","78.224","0.001","5049.24","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","BETX","","","- C70 H58 O -","- C70 H58 O -","- C280 H232 O4 -","4","2","","Korovina, Nadezhda V.; Das, Saptaparna; Nett, Zachary; Feng, Xintian; Joy, Jimmy; Haiges, Ralf; Krylov, Anna I.; Bradforth, Stephen E.; Thompson, Mark E.","Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer.","Journal of the American Chemical Society","2016","138","2","617","627","10.1021/jacs.5b10550","","","1.54178","CuKα","","0.0838","0.0695","","","0.1823","0.1966","","","","","","1.026","","","","has coordinates,has disorder","240455","2020-10-21","18:00:00",""
"4129803","20.5497","0.0014","13.1892","0.0009","14.0762","0.001","90","","130.172","0.0008","90","","2915.2","0.4","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","BETA","","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","0.5","","Korovina, Nadezhda V.; Das, Saptaparna; Nett, Zachary; Feng, Xintian; Joy, Jimmy; Haiges, Ralf; Krylov, Anna I.; Bradforth, Stephen E.; Thompson, Mark E.","Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer.","Journal of the American Chemical Society","2016","138","2","617","627","10.1021/jacs.5b10550","","","0.71073","MoKα","","0.0504","0.0418","","","0.1236","0.1341","","","","","","1.006","","","","has coordinates","240456","2020-10-21","18:00:00",""
"4129807","10.7307","0.0009","14.8887","0.0013","15.7012","0.0011","91.371","0.003","90.174","0.003","95.164","0.004","2497.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Re(C6Et6)(CO)3][Al(OtBuF)4]","","","- C37 H30 Al F36 O7 Re -","- C37 H30 Al F36 O7 Re -","- C74 H60 Al2 F72 O14 Re2 -","2","1","","Yau, Hon Man; McKay, Alasdair I.; Hesse, Henrique; Xu, Ran; He, Mushi; Holt, Camille E.; Ball, Graham E.","Observation of Cationic Transition Metal-Alkane Complexes with Moderate Stability in Hydrofluorocarbon Solution.","Journal of the American Chemical Society","2016","138","1","281","288","10.1021/jacs.5b10583","","x-ray","0.71073","MoKα","","0.0814","0.0671","","","0.1704","0.1828","","","","","","1.038","","","","has coordinates,has disorder","240460","2020-10-21","18:00:00",""
"4129814","16.9362","0.0005","11.0662","0.0003","31.4144","0.0009","90","","97.226","0.001","90","","5840.9","0.3","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C4.55 H7.09 Cl0.36 F1.27 N0 P0.18 Sb0.18 -","- C4.54545 H7.09091 Cl0.363636 F1.27273 P0.181818 Sb0.181818 -","- C200 H312 Cl16 F56 P8 Sb8 -","44","11","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0628","0.0463","","","0.0988","0.1064","","","","","","1.061","","","","has coordinates","240467","2020-10-21","18:00:00",""
"4129815","8.7273","0.0004","24.577","0.0011","13.4107","0.0006","90","","104.117","0.002","90","","2789.6","0.2","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","KH-907","toste112","","- C30 H19 Au Cl F6 P -","- C30 H19 Au Cl F6 P -","- C120 H76 Au4 Cl4 F24 P4 -","4","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.1205","0.0487","","","0.0746","0.0925","","","","","","1.025","","","","has coordinates,has disorder","240468","2020-10-21","18:00:00",""
"4129816","8.1704","0.0018","11.455","0.002","17.998","0.004","76.179","0.004","85.607","0.004","79.817","0.004","1608.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","KH-1450","toste127","","- C73 H50 Au2 Cl4 F10 O4 P2 -","- C73 H50 Au2 Cl4 F10 O4 P2 -","- C73 H50 Au2 Cl4 F10 O4 P2 -","1","0.5","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0212","0.018","","","0.0384","0.0405","","","","","","1.085","","","","has coordinates,has disorder","240469","2020-10-21","18:00:00",""
"4129817","9.1432","0.0005","12.2321","0.0007","17.9451","0.001","104.66","0.003","103.941","0.003","95.085","0.003","1860.38","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","KH-1502","toste133","","- C38 H28 Au Cl5 F5 O2 P -","- C38 H28 Au Cl5 F5 O2 P -","- C76 H56 Au2 Cl10 F10 O4 P2 -","2","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0569","0.0458","","","0.1109","0.1211","","","","","","1.071","","","","has coordinates,has disorder","240470","2020-10-21","18:00:00",""
"4129818","8.6367","0.0006","11.9128","0.0008","12.4392","0.0008","103.096","0.001","91.766","0.002","103.918","0.001","1205.01","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","KH-1484","toste130","","- C30 H26 Cl O3 P -","- C30 H26 Cl O3 P -","- C60 H52 Cl2 O6 P2 -","2","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0791","0.0486","","","0.0859","0.0984","","","","","","1.058","","","","has coordinates,has disorder","240471","2020-10-21","18:00:00",""
"4129819","10.2613","0.0004","16.3734","0.0007","19.8407","0.0008","90","","97.3","0.002","90","","3306.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Au Cl F7 N P Sb -","- C29 H42 Au Cl F7 N P Sb -","- C116 H168 Au4 Cl4 F28 N4 P4 Sb4 -","4","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0185","0.0155","","","0.0331","0.0341","","","","","","1.048","","","","has coordinates","240472","2020-10-21","18:00:00",""
"4129820","8.423","0.0003","27.385","0.0008","12.2756","0.0004","90","","91.736","0.002","90","","2830.24","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","KH-1250","toste123","","- C30 H24 Au Cl4 O2 P -","- C30 H24 Au Cl4 O2 P -","- C120 H96 Au4 Cl16 O8 P4 -","4","1","","Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean","Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2016","138","2","587","593","10.1021/jacs.5b10720","","","0.71073","MoKα","","0.0233","0.0204","","","0.0384","0.0389","","","","","","1.176","","","","has coordinates","240473","2020-10-21","18:00:00",""
"4129841","6.52","0.004","18.36","0.01","12.283","0.007","90","","99.174","0.01","90","","1451.6","1.5","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H37 Cl N2 O3 Si -","- C28 H37 Cl N2 O3 Si -","- C56 H74 Cl2 N4 O6 Si2 -","2","1","","Cheng, Qing-Qing; Yedoyan, Julietta; Arman, Hadi; Doyle, Michael P.","Copper-Catalyzed Divergent Addition Reactions of Enoldiazoacetamides with Nitrones.","Journal of the American Chemical Society","2016","138","1","44","47","10.1021/jacs.5b10860","","","0.71075","MoKα","","0.0925","0.0782","","","0.1385","0.1474","","","","","","1.036","","","","has coordinates","240494","2020-10-21","18:00:00",""
"4129847","11.4134","0.0004","6.2066","0.0002","11.8551","0.0004","90","","103.613","0.002","90","","816.2","0.05","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Tallmadge, Evan H.; Jermaks, Janis; Collum, David B.","Structure-Reactivity Relationships in Lithiated Evans Enolates: Influence of Aggregation and Solvation on the Stereochemistry and Mechanism of Aldol Additions.","Journal of the American Chemical Society","2016","138","1","345","355","10.1021/jacs.5b10980","","","0.71073","MoKα","","0.0466","0.0379","","","0.0941","0.1012","","","","","","1.002","","","","has coordinates","240499","2020-10-21","18:00:00",""
"4129848","5.7701","0.0006","13.3976","0.0012","22.752","0.002","90","","90","","90","","1758.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Tallmadge, Evan H.; Jermaks, Janis; Collum, David B.","Structure-Reactivity Relationships in Lithiated Evans Enolates: Influence of Aggregation and Solvation on the Stereochemistry and Mechanism of Aldol Additions.","Journal of the American Chemical Society","2016","138","1","345","355","10.1021/jacs.5b10980","","","0.71073","MoKα","","0.0812","0.0356","","","0.0662","0.0808","","","","","","1.06","","","","has coordinates","240500","2020-10-21","18:00:00",""
"4129849","17.784","0.004","17.784","0.004","53.14","0.005","90","","90","","120","","14555","5","223","2","223","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C6 H N0.33 O3.5 Zn0.58 -","- C5.98333 H N0.333333 O3.5 Zn0.583333 -","- C215.4 H36 N12 O126 Zn21 -","36","1","","Zhang, Zhenjie; Nguyen, Ha Thi Hoang; Miller, Stephen A.; Ploskonka, Ann M.; DeCoste, Jared B.; Cohen, Seth M.","Polymer-Metal-Organic Frameworks (polyMOFs) as Water Tolerant Materials for Selective Carbon Dioxide Separations.","Journal of the American Chemical Society","2016","138","3","920","925","10.1021/jacs.5b11034","","","0.71073","MoKα","","0.1217","0.0983","","","0.2571","0.2754","","","","","","1.425","","","","has coordinates","240501","2020-10-21","18:00:00",""
"4129858","7.5087","0.0002","19.9025","0.0006","11.5097","0.0005","90","","93.255","0.003","90","","1717.26","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C78 H90 N6 O12 -","6","3","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0318","0.0308","","","0.0791","0.0801","","","","","","1.047","","","","has coordinates","240510","2020-10-21","18:00:00",""
"4129859","8.3112","0.0015","7.2566","0.0013","8.9068","0.0017","90","","95.146","0.002","90","","535.01","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0236","0.0236","","","0.0632","0.0633","","","","","","1.064","","","","has coordinates","240511","2020-10-21","18:00:00",""
"4129860","9.6015","0.0003","14.9637","0.0005","8.9947","0.0003","90","","104.171","0.003","90","","1252.98","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0632","0.052","","","0.2109","0.2144","","","","","","1.087","","","","has coordinates","240512","2020-10-21","18:00:00",""
"4129861","8.7567","0.0012","7.246","0.001","9.0118","0.0014","90","","96.915","0.007","90","","567.65","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C24 H24 Cl2 N2 O6 -","2","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0209","0.0207","","","0.0547","0.055","","","","","","1.063","","","","has coordinates","240513","2020-10-21","18:00:00",""
"4129862","8.2495","0.0003","12.0484","0.0003","14.9606","0.0007","90","","90","","90","","1486.98","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2.2 -","- C19 H18.83 N O2.17 -","- C76 H75.32 N4 O8.68 -","4","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0434","0.041","","","0.103","0.1049","","","","","","1.05","","","","has coordinates","240514","2020-10-21","18:00:00",""
"4129877","14.8407","0.0005","25.2345","0.0006","16.6932","0.0004","90","","91.48","0.003","90","","6249.5","0.3","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H88 Cu2 Li4 O4 Si4 -","- C60 H88 Cu2 Li4 O4 Si4 -","- C240 H352 Cu8 Li16 O16 Si16 -","4","0.5","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0471","0.0329","","","0.0748","0.0818","","","","","","1.051","","","","has coordinates","240528","2020-10-21","18:00:00",""
"4129878","14.2938","0.0003","14.2938","0.0003","12.2777","0.0003","90","","90","","90","","2508.49","0.1","100.02","0.13","100.02","0.13","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C40 H80 Cu2 Li4 O4 Si4 -","- C40 H80 Cu2 Li4 O4 Si4 -","- C80 H160 Cu4 Li8 O8 Si8 -","2","0.25","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0316","0.0264","","","0.0635","0.0667","","","","","","1.077","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129879","12.3581","0.0004","22.2386","0.0008","19.3513","0.0007","90","","93.795","0.003","90","","5306.6","0.3","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H84 Cu2 Li4 O4 Si4 -","- C44 H84 Cu2 Li4 O4 Si4 -","- C176 H336 Cu8 Li16 O16 Si16 -","4","1","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0848","0.0548","","","0.1334","0.1569","","","","","","1.036","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129880","24.461","0.0008","10.7746","0.0003","20.9554","0.0007","90","","90","","90","","5523","0.3","180","0.1","180","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C52 H72 Cu2 Li2 O2 Si4 -","- C52 H72 Cu2 Li2 O2 Si4 -","- C208 H288 Cu8 Li8 O8 Si16 -","4","1","","Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng","Aromatic Dicupra[10]annulenes.","Journal of the American Chemical Society","2016","138","1","60","63","10.1021/jacs.5b11317","","","0.71073","MoKα","","0.0886","0.0561","","","0.1252","0.1432","","","","","","1.016","","","","has coordinates,has disorder","240528","2020-10-21","18:00:00",""
"4129881","4.8526","0.0001","26.9297","0.0005","8.2964","0.0001","90","","95.471","0.001","90","","1079.23","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6,13-bis[carbo(3-hydroxypropoxy)]-1,4,8,11-tetraazacyclotetradeca-4,6,11,13-tetraenato(2-)-k4N(1,4,8,11)copper(II)","","- C18 H30 Cu N4 O8 -","- C18 H30 Cu N4 O8 -","- C36 H60 Cu2 N8 O16 -","2","0.5","","Duprey, Jean-Louis H A; Carr-Smith, James; Horswell, Sarah L.; Kowalski, Jarosław; Tucker, James H. R.","Macrocyclic Metal Complex-DNA Conjugates for Electrochemical Sensing of Single Nucleobase Changes in DNA.","Journal of the American Chemical Society","2016","138","3","746","749","10.1021/jacs.5b11319","","","1.54178","CuKα","","0.032","0.0307","","","0.0869","0.0885","","","","","","1.062","","","","has coordinates,has disorder","240529","2020-10-21","18:00:00",""
"4129882","8.9733","0.0003","10.6271","0.0003","22.7977","0.0007","86.251","0.001","82.156","0.001","79.364","0.001","2114.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","'6-carbo[2,2-bis(hydroxymethyl)]butoxy-13-carbomethoxy-1,4,8,11-tetraazacyclotetradeca-4,6,11,13-tetraenato(2-)-k4N(1,4,8,11)copper(II)","","- C19 H28 Cu N4 O6 -","- C19 H28 Cu N4 O6 -","- C76 H112 Cu4 N16 O24 -","4","2","","Duprey, Jean-Louis H A; Carr-Smith, James; Horswell, Sarah L.; Kowalski, Jarosław; Tucker, James H. R.","Macrocyclic Metal Complex-DNA Conjugates for Electrochemical Sensing of Single Nucleobase Changes in DNA.","Journal of the American Chemical Society","2016","138","3","746","749","10.1021/jacs.5b11319","","","1.54178","CuKα","","0.0418","0.0389","","","0.1129","0.1172","","","","","","1.032","","","","has coordinates","240530","2020-10-21","18:00:00",""
"4129886","24.9455","0.0002","19.28742","0.00018","11.27639","0.00009","90","","90","","90","","5425.46","0.08","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C86 H162 N16 O35 -","- C86 H162 N16 O35 -","- C172 H324 N32 O70 -","2","0.5","","Li, Qinglian; Qin, Xiangjing; Liu, Jing; Gui, Chun; Wang, Bo; Li, Jie; Ju, Jianhua","Deciphering the Biosynthetic Origin of L-allo-Isoleucine.","Journal of the American Chemical Society","2016","138","1","408","415","10.1021/jacs.5b11380","","","1.54184","CuKα","","0.0472","0.0457","","","0.1275","0.1293","","","","","","1.054","","","","has coordinates","240534","2020-10-21","18:00:00",""
"4129887","11.9287","0.0005","15.9954","0.0006","19.3548","0.0008","96.666","0.001","107.76","0.001","94.002","0.001","3471.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H76 Cl2 F12 N2 P6 Pt2 -","- C51 H76 Cl2 F12 N2 P6 Pt2 -","- C102 H152 Cl4 F24 N4 P12 Pt4 -","2","1","","Jiang, Bo; Zhang, Jing; Ma, Jian-Qiu; Zheng, Wei; Chen, Li-Jun; Sun, Bin; Li, Chao; Hu, Bing-Wen; Tan, Hongwei; Li, Xiaopeng; Yang, Hai-Bo","Vapochromic Behavior of a Chair-Shaped Supramolecular Metallacycle with Ultra-Stability.","Journal of the American Chemical Society","2016","138","3","738","741","10.1021/jacs.5b11409","","","0.71073","MoKα","","0.0429","0.0314","","","0.0824","0.0867","","","","","","1.069","","","","has coordinates","240535","2020-10-21","18:00:00",""
"4129888","5.9186","0.0003","7.6659","0.0004","41.4766","0.0019","90","","90","","90","","1881.85","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O3 S -","- C19 H20 Br N O3 S -","- C76 H80 Br4 N4 O12 S4 -","4","1","","Zeng, Xing-Ping; Cao, Zhong-Yan; Wang, Xin; Chen, Long; Zhou, Feng; Zhu, Feng; Wang, Cui-Hong; Zhou, Jian","Activation of Chiral (Salen)AlCl Complex by Phosphorane for Highly Enantioselective Cyanosilylation of Ketones and Enones.","Journal of the American Chemical Society","2016","138","1","416","425","10.1021/jacs.5b11476","","","0.71073","MoKα","","0.0331","0.0308","","","0.0711","0.0721","","","","","","1.08","","","","has coordinates","240536","2020-10-21","18:00:00",""
"4129889","7.7418","0.0004","12.0109","0.0006","10.5954","0.0006","90","","103.683","0.002","90","","957.26","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Br2 N O3 S -","- C19 H19 Br2 N O3 S -","- C38 H38 Br4 N2 O6 S2 -","2","1","","Zeng, Xing-Ping; Cao, Zhong-Yan; Wang, Xin; Chen, Long; Zhou, Feng; Zhu, Feng; Wang, Cui-Hong; Zhou, Jian","Activation of Chiral (Salen)AlCl Complex by Phosphorane for Highly Enantioselective Cyanosilylation of Ketones and Enones.","Journal of the American Chemical Society","2016","138","1","416","425","10.1021/jacs.5b11476","","","0.71073","MoKα","","0.0269","0.0242","","","0.0507","0.0522","","","","","","1.056","","","","has coordinates","240537","2020-10-21","18:00:00",""
"4129890","17.4022","0.001","13.7426","0.0008","19.3267","0.0011","90","","112.747","0.0007","90","","4262.5","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H64 Si6 Th -","- C33 H64 Si6 Th -","- C132 H256 Si24 Th4 -","4","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.03","0.0225","","","0.0494","0.0522","","","","","","1.031","","","","has coordinates,has disorder","240538","2020-10-21","18:00:00",""
"4129891","15.8189","0.0007","15.8189","0.0007","16.2473","0.0007","90","","90","","120","","3521","0.3","88","2","88","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H40 Th -","- C27 H40 Th -","- C162 H240 Th6 -","6","0.333333","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0176","0.0142","","","0.0304","0.0316","","","","","","1.079","","","","has coordinates,has disorder","240539","2020-10-21","18:00:00",""
"4129892","12.0864","0.0005","14.4795","0.0006","16.9216","0.0007","107.436","0.0005","102.845","0.0005","109.223","0.0005","2492.69","0.18","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H83 K N2 O7 Th -","- C49 H83 K N2 O7 Th -","- C98 H166 K2 N4 O14 Th2 -","2","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0407","0.0358","","","0.0853","0.0877","","","","","","1.068","","","","has coordinates","240540","2020-10-21","18:00:00",""
"4129893","13.1226","0.0006","16.1953","0.0007","19.4312","0.0008","93.503","0.0005","93.5208","0.0005","95.9729","0.0005","4089.9","0.3","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H127 K O7.5 Si8 Th2 -","- C62 H127 K O7.5 Si8 Th2 -","- C124 H254 K2 O15 Si16 Th4 -","2","1","","Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.","Journal of the American Chemical Society","2016","138","12","4036","4045","10.1021/jacs.5b11508","","","0.71073","MoKα","","0.0223","0.0191","","","0.0423","0.0432","","","","","","1.033","","","","has coordinates,has disorder","240541","2020-10-21","18:00:00",""
"4129894","13.657","0.0012","18.8676","0.0018","45.656","0.004","90","","90","","90","","11764.4","1.8","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C201 H280 F24 Mn4 N16 O27 S8 -","- C201 H280 F24 Mn4 N16 O27 S8 -","- C402 H560 F48 Mn8 N32 O54 S16 -","2","0.5","","Miao, Chengxia; Wang, Bin; Wang, Yong; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei","Proton-Promoted and Anion-Enhanced Epoxidation of Olefins by Hydrogen Peroxide in the Presence of Nonheme Manganese Catalysts.","Journal of the American Chemical Society","2016","138","3","936","943","10.1021/jacs.5b11579","","","0.71073","MoKα","","0.1487","0.0946","","","0.2337","0.2578","","","","","","1.007","","","","has coordinates,has disorder","240542","2020-10-21","18:00:00",""
"4129895","18.1548","0.0011","10.5369","0.0007","9.3957","0.0005","90","","90","","90","","1797.35","0.19","147","2","147","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H2 Br2 F10 Te -","- C16 H2 Br2 F10 Te -","- C64 H8 Br8 F40 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0315","0.021","","","0.0422","0.0452","","","","","","1.027","","","","has coordinates","240543","2020-10-21","18:00:00",""
"4129896","25.7637","0.0016","9.6107","0.0006","7.6918","0.0005","90","","94.119","0.002","90","","1899.6","0.2","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Br2 F6 Te -","- C18 H10 Br2 F6 Te -","- C72 H40 Br8 F24 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0279","0.0208","","","0.0467","0.0502","","","","","","1.059","","","","has coordinates","240544","2020-10-21","18:00:00",""
"4129897","34.193","0.003","10.0162","0.0008","6.9968","0.0006","90","","100.07","0.003","90","","2359.4","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br2 O2 Te -","- C24 H28 Br2 O2 Te -","- C96 H112 Br8 O8 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.033","0.022","","","0.0439","0.0471","","","","","","1.038","","","","has coordinates","240545","2020-10-21","18:00:00",""
"4129898","33.066","0.003","9.7784","0.0009","7.1871","0.0007","90","","90.781","0.003","90","","2323.6","0.4","147","2","147","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br2 Te -","- C24 H28 Br2 Te -","- C96 H112 Br8 Te4 -","4","0.5","","Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.","A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.","Journal of the American Chemical Society","2016","138","8","2678","2689","10.1021/jacs.5b11649","","","0.71073","MoKα","","0.0271","0.0193","","","0.0543","0.0586","","","","","","0.974","","","","has coordinates","240546","2020-10-21","18:00:00",""
"4129899","12.1826","0.001","9.1323","0.0007","11.2711","0.001","90","","114.959","0.005","90","","1136.86","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O -","- C15 H14 O -","- C60 H56 O4 -","4","1","","Ayitou, Anoklase J.-L.; Flynn, Kristen; Jockusch, Steffen; Khan, Saeed I.; Garcia-Garibay, Miguel A","Structure-Kinetics Correlations in Isostructural Crystals of α-(ortho-Tolyl)-acetophenones: Pinning Down Electronic Effects Using Laser-Flash Photolysis in the Solid State.","Journal of the American Chemical Society","2016","138","8","2644","2648","10.1021/jacs.5b11657","","","1.54178","CuKα","","0.1133","0.0584","","","0.132","0.1563","","","","","","1.052","","","","has coordinates","240547","2020-10-21","18:00:00",""
"4129900","12.8879","0.0011","8.7706","0.0007","11.5969","0.001","90","","109.124","0.006","90","","1238.51","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O -","- C16 H16 O -","- C64 H64 O4 -","4","1","","Ayitou, Anoklase J.-L.; Flynn, Kristen; Jockusch, Steffen; Khan, Saeed I.; Garcia-Garibay, Miguel A","Structure-Kinetics Correlations in Isostructural Crystals of α-(ortho-Tolyl)-acetophenones: Pinning Down Electronic Effects Using Laser-Flash Photolysis in the Solid State.","Journal of the American Chemical Society","2016","138","8","2644","2648","10.1021/jacs.5b11657","","","1.54178","CuKα","","0.0678","0.042","","","0.1011","0.132","","","","","","1.066","","","","has coordinates","240549","2020-10-21","18:00:00",""
"4129901","8.2499","0.0004","11.6336","0.0006","8.1398","0.0004","90","","90","","90","","781.23","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[methylammonium tris(mu!2$-formato-k2O:O')cobalt(II)]","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","","Gómez-Aguirre, L Claudia; Pato-Doldán, Breogán; Mira, J.; Castro-García, Socorro; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Singleton, John; Zapf, Vivien S.","Magnetic Ordering-Induced Multiferroic Behavior in [CH3NH3][Co(HCOO)3] Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","4","1122","1125","10.1021/jacs.5b11688","","","0.71073","MoKα","","0.0465","0.0374","","","0.0977","0.1037","","","","","","1.018","","","","has coordinates","240550","2020-10-21","18:00:00",""
"4129902","11.275","0.005","10.061","0.004","31.113","0.013","90","","99.95","0.005","90","","3476","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 B Cl Ir P2 -","- C37 H48 B Cl Ir P2 -","- C148 H192 B4 Cl4 Ir4 P8 -","4","1","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.029","0.0245","","","0.0548","0.0564","","","","","","1.049","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129903","15.42","0.003","22.574","0.004","15.032","0.003","90","","102.593","0.002","90","","5106.6","1.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B Cl Ir P2 -","- C24 H37 B Cl Ir P2 -","- C192 H296 B8 Cl8 Ir8 P16 -","8","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0373","0.027","","","0.0565","0.0599","","","","","","1.01","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129904","15.578","0.011","22.693","0.015","15.102","0.01","90","","102.626","0.008","90","","5210","6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B Cl P2 Rh -","- C24 H37 B Cl P2 Rh -","- C192 H296 B8 Cl8 P16 Rh8 -","8","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0505","0.038","","","0.0919","0.099","","","","","","1.025","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129905","15.462","0.009","15.664","0.009","21.667","0.012","90","","90.466","0.006","90","","5248","5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B Cl Ir P2 -","- C24 H36 B Cl Ir P2 -","- C192 H288 B8 Cl8 Ir8 P16 -","8","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0295","0.026","","","0.0615","0.0632","","","","","","1.064","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129906","9.3083","0.0019","16.768","0.003","17.565","0.004","98.45","0.002","100.388","0.002","104.851","0.002","2552.2","0.9","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 B Cl2 Ir P2 -","- C24 H36 B Cl2 Ir P2 -","- C96 H144 B4 Cl8 Ir4 P8 -","4","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0495","0.0375","","","0.0819","0.0881","","","","","","1.076","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129907","9.319","0.0019","16.684","0.003","17.57","0.004","98.321","0.002","100.429","0.002","104.786","0.002","2544.8","0.9","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 B Cl2 P2 Rh -","- C24 H36 B Cl2 P2 Rh -","- C96 H144 B4 Cl8 P8 Rh4 -","4","2","","Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Timpa, Samuel D.; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Facile Insertion of Rh and Ir into a Boron-Phenyl Bond, Leading to Boryl/Bis(phosphine) PBP Pincer Complexes.","Journal of the American Chemical Society","2016","138","7","2086","2089","10.1021/jacs.5b11706","","","0.71073","MoKα","","0.0554","0.0446","","","0.1031","0.1107","","","","","","1.048","","","","has coordinates","240551","2020-10-21","18:00:00",""
"4129908","5.9734","0.0004","31.405","0.002","8.2426","0.0005","90","","104.61","0.003","90","","1496.27","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","0.71073","MoKα","","0.0621","0.0442","","","0.1024","0.1096","","","","","","1.033","","","","has coordinates","240552","2020-10-21","18:00:00",""
"4129909","5.4701","0.0002","7.6337","0.0003","11.2184","0.0004","103.512","0.002","91.167","0.002","98.484","0.002","449.76","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 B F4 N O2 -","- C6 H12 B F4 N O2 -","- C12 H24 B2 F8 N2 O4 -","2","1","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","1.54178","CuKα","","0.0451","0.0378","","","0.0918","0.0965","","","","","","1.043","","","","has coordinates","240553","2020-10-21","18:00:00",""
"4129910","11.4731","0.0004","8.214","0.0002","7.6132","0.0003","90","","90","","90","","717.47","0.04","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H9 B F3 N O -","- C6 H9 B F3 N O -","- C24 H36 B4 F12 N4 O4 -","4","0.5","","Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M.","Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex.","Journal of the American Chemical Society","2016","138","3","969","974","10.1021/jacs.5b11750","","","0.71073","MoKα","","0.0404","0.0317","","","0.0824","0.0863","","","","","","1.038","","","","has coordinates","240554","2020-10-21","18:00:00",""
"4129911","17.385","0.005","17.425","0.006","17.479","0.006","60.384","0.003","60.308","0.003","60.168","0.003","3768","2","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C144 H174 F15.01 N24 O3 S2.5 -","- C144 H168 F15.012 N24 O3 S2.502 -","- C144 H168 F15.012 N24 O3 S2.502 -","1","1","","Hasell, Tom; Miklitz, Marcin; Stephenson, Andrew; Little, Marc A.; Chong, Samantha Y.; Clowes, Rob; Chen, Linjiang; Holden, Daniel; Tribello, Gareth A.; Jelfs, Kim E.; Cooper, Andrew I.","Porous Organic Cages for Sulfur Hexafluoride Separation.","Journal of the American Chemical Society","2016","138","5","1653","1659","10.1021/jacs.5b11797","","x-ray","0.6889","","","0.1091","0.0894","","","0.2378","0.2549","","","","","","1.039","","","","has coordinates,has disorder","240555","2020-10-21","18:00:00",""
"4129912","18.3781","0.0016","20.5298","0.0019","25.009","0.002","71.612","0.004","71.701","0.004","75.717","0.004","8386.3","1.3","100","","100","","","","","","","","","4","P -1","-P 1","2","nonamer1","","","- C180.24 H176.19 N14 O7 -","- C180.26 H176.224 N14 O7 -","- C360.52 H352.448 N28 O14 -","2","1","","Jeon, Hae-Geun; Jung, Jin Young; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung","Folding-Generated Molecular Tubes Containing One-Dimensional Water Chains.","Journal of the American Chemical Society","2016","138","1","92","95","10.1021/jacs.5b11808","","","0.71073","MoKα","","0.1142","0.0625","","","0.1595","0.1769","","","","","","1.015","","","","has coordinates,has disorder","240556","2020-10-21","18:00:00",""
"4129913","24.337","0.005","10.843","0.002","42.89","0.009","90","","93.79","0.03","90","","11293","4","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C141 H133 N11 O5 -","- C141 H133 N11 O5 -","- C564 H532 N44 O20 -","4","1","","Jeon, Hae-Geun; Jung, Jin Young; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung","Folding-Generated Molecular Tubes Containing One-Dimensional Water Chains.","Journal of the American Chemical Society","2016","138","1","92","95","10.1021/jacs.5b11808","","","0.7","synchrotron","","0.1335","0.0755","","","0.2122","0.2463","","","","","","1.049","","","","has coordinates,has disorder","240557","2020-10-21","18:00:00",""
"4129914","28.5785","0.0005","18.7796","0.0004","32.1781","0.0006","90","","114.4","0.008","90","","15727.3","1.1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Fe9 N48 O36 W6 -","- C84 H60 Fe9 N48 O36 W6 -","- C336 H240 Fe36 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.114","0.0817","","","0.1231","0.1316","","","","","","1.188","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129915","28.6522","0.0013","18.7712","0.0007","32.1509","0.0015","90","","114.608","0.001","90","","15721.4","1.2","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co Fe8 N48 O36 W6 -","- C84 H60 Co Fe8 N48 O36 W6 -","- C336 H240 Co4 Fe32 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.08","0.0594","","","0.1318","0.1426","","","","","","1.043","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129916","28.5338","0.0012","18.7","0.0008","32.0907","0.0013","90","","114.289","0.001","90","","15607.3","1.1","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C336 H240 Co8 Fe28 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0538","0.0421","","","0.1063","0.115","","","","","","1.061","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129917","28.5736","0.0005","18.8126","0.0004","32.1223","0.0006","90","","114.311","0.001","90","","15736","0.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C336 H240 Co12 Fe24 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.07","0.0493","","","0.1159","0.1321","","","","","","1.078","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129918","28.599","0.002","18.669","0.0015","32.103","0.002","90","","114.398","0.001","90","","15609.6","1.9","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C336 H240 Co16 Fe20 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1846","0.0974","","","0.1809","0.2174","","","","","","1.058","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129919","28.7689","0.001","18.6633","0.0009","32.2252","0.0013","90","","114.668","0.001","90","","15723.4","1.1","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C336 H240 Co20 Fe16 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1228","0.0803","","","0.1477","0.1672","","","","","","1.069","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129920","28.8284","0.0014","18.8799","0.0011","32.304","0.0016","90","","114.294","0.001","90","","16025.4","1.5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C336 H240 Co24 Fe12 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0768","0.0548","","","0.13","0.1551","","","","","","1.084","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129921","29.0418","0.0013","18.7104","0.001","32.3007","0.0015","90","","114.66","0.001","90","","15951","1.3","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C336 H240 Co28 Fe8 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1666","0.1127","","","0.2097","0.2388","","","","","","1.056","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129922","28.7697","0.0009","19.2395","0.0007","32.365","0.0009","90","","113.535","0.001","90","","16424.3","0.9","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co8 Fe N48 O36 W6 -","- C84 H60 Co8 Fe N48 O36 W6 -","- C336 H240 Co32 Fe4 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.106","0.0656","","","0.1628","0.2018","","","","","","1.046","","","","has coordinates,has disorder","240558","2020-10-21","18:00:00",""
"4129923","28.6286","0.0006","19.0072","0.0004","32.4063","0.0007","90","","114.321","0.008","90","","16068.9","1.2","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Fe9 N48 O36 W6 -","- C84 H60 Fe9 N48 O36 W6 -","- C336 H240 Fe36 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.105","0.0731","","","0.1065","0.1143","","","","","","1.193","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129924","28.9785","0.0009","19.3018","0.0008","32.6525","0.0012","90","","113.947","0.001","90","","16691.6","1.1","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co Fe8 N48 O36 W6 -","- C84 H60 Co Fe8 N48 O36 W6 -","- C336 H240 Co4 Fe32 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.105","0.0871","","","0.2002","0.219","","","","","","1.088","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129925","29.053","0.005","19.168","0.004","32.664","0.005","90","","114.441","0.003","90","","16560","5","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C84 H60 Co2 Fe7 N48 O36 W6 -","- C336 H240 Co8 Fe28 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1318","0.0796","","","0.1758","0.2182","","","","","","1.091","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129926","28.9856","0.0005","19.2823","0.0003","32.5854","0.0006","90","","114.156","0.001","90","","16617.5","0.5","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C84 H60 Co3 Fe6 N48 O36 W6 -","- C336 H240 Co12 Fe24 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.052","0.0395","","","0.089","0.0949","","","","","","1.046","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129927","28.9963","0.0009","19.2192","0.0007","32.5401","0.0009","90","","114.215","0.001","90","","16538.6","0.9","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C84 H60 Co4 Fe5 N48 O36 W6 -","- C336 H240 Co16 Fe20 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1334","0.0804","","","0.1383","0.1579","","","","","","1.073","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129928","29.0583","0.0005","19.2371","0.0005","32.5858","0.0006","90","","114.181","0.001","90","","16617.1","0.6","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C84 H60 Co5 Fe4 N48 O36 W6 -","- C336 H240 Co20 Fe16 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.076","0.0544","","","0.131","0.1655","","","","","","1.118","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129929","28.9608","0.0006","19.3329","0.0005","32.6113","0.0006","90","","114.018","0.001","90","","16678","0.6","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C84 H60 Co6 Fe3 N48 O36 W6 -","- C336 H240 Co24 Fe12 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0778","0.0587","","","0.1686","0.2267","","","","","","1.18","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129930","29.0629","0.0006","19.1056","0.0005","32.5013","0.0007","90","","114.481","0.001","90","","16424.4","0.7","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C84 H60 Co7 Fe2 N48 O36 W6 -","- C336 H240 Co28 Fe8 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.0628","0.042","","","0.0946","0.106","","","","","","1.058","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129931","28.7934","0.0007","19.4036","0.0005","32.6008","0.0007","90","","113.61","0.001","90","","16689.3","0.7","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Co8 Fe N48 O36 W6 -","- C84 H60 Co8 Fe N48 O36 W6 -","- C336 H240 Co32 Fe4 N192 O144 W24 -","4","0.5","","Chorazy, Szymon; Stanek, Jan J.; Nogaś, Wojciech; Majcher, Anna M.; Rams, Michał; Kozieł, Marcin; Juszyńska-Gałązka, Ewa; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.","Journal of the American Chemical Society","2016","138","5","1635","1646","10.1021/jacs.5b11924","","x-ray","0.71075","MoKα","","0.1012","0.0697","","","0.1879","0.2547","","","","","","1.16","","","","has coordinates,has disorder","240559","2020-10-21","18:00:00",""
"4129932","15.9443","0.0002","19.3479","0.0002","22.8682","0.0003","90","","91.2956","0.0005","90","","7052.78","0.15","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C88 H108 Si2 -","- C88 H108 Si2 -","- C352 H432 Si8 -","4","1","","Kobayashi, Megumi; Hayakawa, Naoki; Matsuo, Tsukasa; Li, Baolin; Fukunaga, Takeo; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","(Z)-1,2-Di(1-pyrenyl)disilene: Synthesis, Structure, and Intramolecular Charge-Transfer Emission.","Journal of the American Chemical Society","2016","138","3","758","761","10.1021/jacs.5b11970","","","0.71073","MoKα","","0.0889","0.0506","","","0.1237","0.143","","","","","","1.023","","","","has coordinates,has disorder","240560","2020-10-21","18:00:00",""
"4129933","14.969","0.002","6.2857","0.0009","20.527","0.003","90","","104.684","0.003","90","","1868.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 B O2 -","- C21 H25 B O2 -","- C84 H100 B4 O8 -","4","1","","Hu, Tian-Jiao; Zhang, Ge; Chen, Ya-Heng; Feng, Chen-Guo; Lin, Guo-Qiang","Borylation of Olefin C-H Bond via Aryl to Vinyl Palladium 1,4-Migration.","Journal of the American Chemical Society","2016","138","9","2897","2900","10.1021/jacs.5b11990","","","0.71073","MoKα","","0.0714","0.0491","","","0.1318","0.1466","","","","","","1.031","","","","has coordinates","240561","2020-10-21","18:00:00",""
"4129934","11.945","0.004","12.479","0.004","13.396","0.004","89.538","0.009","81.591","0.009","84.647","0.009","1966.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H39 Cl3 O3 P2 Ru -","- C47 H39 Cl3 O3 P2 Ru -","- C94 H78 Cl6 O6 P4 Ru2 -","2","1","","Rohmann, Kai; Hölscher, Markus; Leitner, Walter","Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins.","Journal of the American Chemical Society","2016","138","1","433","443","10.1021/jacs.5b11997","","","0.71073","MoKα","","0.1217","0.0658","","","0.1294","0.1543","","","","","","1.002","","","","has coordinates","240562","2020-10-21","18:00:00",""
"4129935","12.699","0.002","35.158","0.006","11.0528","0.0019","90","","107.071","0.003","90","","4717.3","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H69 Cl O3 P2 Ru -","- C53 H69 Cl O3 P2 Ru -","- C212 H276 Cl4 O12 P8 Ru4 -","4","1","","Rohmann, Kai; Hölscher, Markus; Leitner, Walter","Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins.","Journal of the American Chemical Society","2016","138","1","433","443","10.1021/jacs.5b11997","","","0.71073","MoKα","","0.0881","0.0721","","","0.1521","0.1596","","","","","","1.173","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129936","8.851","0.0009","15.6741","0.0016","15.9474","0.0016","98.2007","0.0015","105.529","0.0015","93.3465","0.0016","2099","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H51 Cl F3 Fe N7 O4 S -","- C41.5 H51 Cl F3 Fe N7 O4 S -","- C83 H102 Cl2 F6 Fe2 N14 O8 S2 -","2","1","","Abucayon, Erwin G.; Khade, Rahul L.; Powell, Douglas R.; Zhang, Yong; Richter-Addo, George B","Hydride Attack on a Coordinated Ferric Nitrosyl: Experimental and DFT Evidence for the Formation of a Heme Model-HNO Derivative.","Journal of the American Chemical Society","2016","138","1","104","107","10.1021/jacs.5b12008","","","0.71073","MoKα","","0.0488","0.0383","","","0.099","0.1073","","","","","","0.982","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129937","22.5428","0.0002","10.7047","0.0001","24.0361","0.0002","90","","94.4528","0.0008","90","","5782.74","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C135 H159.7 Cl0.3 N2 O4.85 -","- C135 H159.7 Cl0.3 N2 O4.85 -","- C270 H319.4 Cl0.6 N4 O9.7 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.0726","0.0625","","0.1727","0.1532","0.171","","","","","","0.975","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129938","15.838","0.0003","18.8583","0.0005","22.3857","0.0005","100.076","0.002","100.244","0.0019","103.903","0.002","6218.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C133 H164 N2 O3 -","- C133 H164 N2 O3 -","- C266 H328 N4 O6 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1356","0.12","","0.2457","0.2296","0.2455","","","","","","1.0257","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129939","14.4432","0.0002","15.6903","0.0003","51.638","0.0009","90","","93.5137","0.0016","90","","11680.1","0.3","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C136 H152 N2 O3 -","- C136 H152 N2 O3 -","- C544 H608 N8 O12 -","4","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","1.5418","CuKα","","0.0764","0.0647","","","0.1611","0.1735","","","","","","1.025","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129940","21.88","0.018","23.986","0.019","24.4","0.02","85.13","0.04","80.6","0.03","63.907","0.019","11345","16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C238 H294 N2 O4 -","- C238 H294 N2 O4 -","- C476 H588 N4 O8 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1943","0.1465","","0.4265","0.3742","0.4265","","","","","","1.1297","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129941","14.5311","0.0005","15.0614","0.0005","28.4507","0.0009","98.118","0.003","97.637","0.003","90.506","0.003","6107.2","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C144 H168 N2 O4 -","- C144 H168 N2 O4 -","- C288 H336 N4 O8 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.0885","0.0725","","0.1647","0.1408","0.1647","","","","","","0.9303","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129942","25.4049","0.0002","19.0336","0.0002","31.4863","0.0002","90","","90.6358","0.0006","90","","15224.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C155.53 H189.06 Cl1.06 N6 O7 Si Zn -","- C155.531 H189.062 Cl1.062 N6 O7 Si Zn -","- C622.124 H756.248 Cl4.248 N24 O28 Si4 Zn4 -","4","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1478","0.1239","","0.416","0.3766","0.414","","","","","","1.0368","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129943","18.7759","0.0005","25.0785","0.001","27.0816","0.001","70.818","0.003","84.309","0.003","89.279","0.003","11981.9","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C239.679 H282.716 N8 O13.68 Zn -","- C239.679 H282.716 N8 O13.679 Zn -","- C479.358 H565.432 N16 O27.358 Zn2 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1663","0.1309","","0.4226","0.3444","0.4225","","","","","","1.0241","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129944","17.5489","0.0004","20.4355","0.0006","23.3976","0.0007","115.875","0.003","90.692","0.002","104.88","0.002","7221.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H194 Br4 Cl2 N2 O10 -","- C147 H194 Br4 Cl2 N2 O10 -","- C294 H388 Br8 Cl4 N4 O20 -","2","1","","Movsisyan, Levon D.; Franz, Michael; Hampel, Frank; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Polyyne Rotaxanes: Stabilization by Encapsulation.","Journal of the American Chemical Society","2016","138","4","1366","1376","10.1021/jacs.5b12049","","","0.6889","Synchrotron","","0.1116","0.0872","","0.2938","0.254","0.2938","","","","","","0.9289","","","","has coordinates,has disorder","240564","2020-10-21","18:00:00",""
"4129945","37.513","0.005","10.095","0.002","19.458","0.002","90","","103.045","0.005","90","","7178.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.38 H49.75 Gd N6 O15.12 -","- C28 H49 Gd N6 O15 -","- C224 H392 Gd8 N48 O120 -","8","1","","He, Jiefang; Bonnet, Célia S; Eliseeva, Svetlana V.; Lacerda, Sara; Chauvin, Thomas; Retailleau, Pascal; Szeremeta, Frederic; Badet, Bernard; Petoud, Stéphane; Tóth, Éva; Durand, Philippe","Prototypes of Lanthanide(III) Agents Responsive to Enzymatic Activities in Three Complementary Imaging Modalities: Visible/Near-Infrared Luminescence, PARACEST-, and T1-MRI.","Journal of the American Chemical Society","2016","138","9","2913","2916","10.1021/jacs.5b12084","","","0.7107","MoKα","","0.0392","0.0291","","","0.0643","0.0688","","","","","","1.034","","","","has coordinates,has disorder","240565","2020-10-21","18:00:00",""
"4129946","8.3832","0.0009","9.528","0.0007","14.1771","0.0019","70.791","0.009","77.122","0.01","86.609","0.008","1042.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H27 Fe I2 N O2 P2 -","- C13 H27 Fe I2 N O2 P2 -","- C26 H54 Fe2 I4 N2 O4 P4 -","2","1","","Xu, Tao; Yin, Chih-Juo Madeline; Wodrich, Matthew D.; Mazza, Simona; Schultz, Katherine M.; Scopelliti, Rosario; Hu, Xile","A Functional Model of [Fe]-Hydrogenase.","Journal of the American Chemical Society","2016","138","10","3270","3273","10.1021/jacs.5b12095","","","0.71073","MoKα","","0.0618","0.0524","","","0.1326","0.1402","","","","","","1.108","","","","has coordinates,has disorder","240566","2020-10-21","18:00:00",""
"4129947","9.9016","0.0016","11.7995","0.001","21.0437","0.0013","90","","90","","90","","2458.6","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Fe I N2 O3 P2 -","- C20 H35 Fe I N2 O3 P2 -","- C80 H140 Fe4 I4 N8 O12 P8 -","4","1","","Xu, Tao; Yin, Chih-Juo Madeline; Wodrich, Matthew D.; Mazza, Simona; Schultz, Katherine M.; Scopelliti, Rosario; Hu, Xile","A Functional Model of [Fe]-Hydrogenase.","Journal of the American Chemical Society","2016","138","10","3270","3273","10.1021/jacs.5b12095","","","0.71073","MoKα","","0.0324","0.0274","","","0.0594","0.0617","","","","","","1.206","","","","has coordinates","240567","2020-10-21","18:00:00",""
"4129948","26.473","0.004","15.889","0.002","54.655","0.007","90","","101.963","0.007","90","","22490","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C194 H288 B2 Cu34 F8 O2 -","- C194 H288 B2 Cu34 F8 O2 -","- C776 H1152 B8 Cu136 F32 O8 -","4","1","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.1688","0.1079","","","0.2745","0.3302","","","","","","1.058","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129949","14.6845","0.001","19.5028","0.0012","21.5607","0.0014","90","","91.957","0.004","90","","6171.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H164 Cu18 F6 O12 S2 -","- C102 H164 Cu18 F6 O12 S2 -","- C204 H328 Cu36 F12 O24 S4 -","2","0.5","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.0691","0.0478","","","0.1416","0.1544","","","","","","1.089","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129950","18.3273","0.0018","59.907","0.006","19.5146","0.0015","90","","118.25","0.007","90","","18874","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H216 B Cu33 F4 Mo4 O16 -","- C144 H216 B Cu33 F4 Mo4 O16 -","- C576 H864 B4 Cu132 F16 Mo16 O64 -","4","1","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.1167","0.0966","","","0.2086","0.2181","","","","","","1.001","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129951","17.4851","0.0011","19.3584","0.0011","45.512","0.003","90","","90.54","0.004","90","","15404.4","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C208 H310 Cu62 F12 Mo12 O62 S4 -","- C208 H310 Cu62 F12 Mo12 O62 S4 -","- C416 H620 Cu124 F24 Mo24 O124 S8 -","2","0.5","","Zhang, Li-Min; Mak, Thomas C. W.","Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.","Journal of the American Chemical Society","2016","138","9","2909","2912","10.1021/jacs.5b12103","","","0.71073","MoKα","","0.113","0.0658","","","0.1876","0.2044","","","","","","1.036","","","","has coordinates,has disorder","240568","2020-10-21","18:00:00",""
"4129955","25.347","0.004","19.541","0.003","30.42","0.004","90","","90","","90","","15067","4","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C66 H116 Fe3 K N6 O9 Si3 -","- C66 H116 Fe3 K N6 O9 Si3 -","- C528 H928 Fe24 K8 N48 O72 Si24 -","8","1","","Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.","Maximizing Electron Exchange in a [Fe3] Cluster.","Journal of the American Chemical Society","2016","138","7","2235","2243","10.1021/jacs.5b12181","","","0.71073","MoKα","","0.096","0.0563","","","0.1366","0.1608","","","","","","1.035","","","","has coordinates,has disorder","240572","2020-10-21","18:00:00",""
"4129956","13.449","0.003","19.29","0.005","25.532","0.006","90","","90","","90","","6624","3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H102 Fe3 K N8 O6 Si3 -","- C60 H102 Fe3 K N8 O6 Si3 -","- C240 H408 Fe12 K4 N32 O24 Si12 -","4","1","","Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.","Maximizing Electron Exchange in a [Fe3] Cluster.","Journal of the American Chemical Society","2016","138","7","2235","2243","10.1021/jacs.5b12181","","","0.71073","MoKα","","0.0645","0.047","","","0.1013","0.1088","","","","","","1.02","","","","has coordinates","240572","2020-10-21","18:00:00",""
"4129957","12.1685","0.0014","29.393","0.004","22.13","0.003","90","","93.436","0.011","90","","7901","1.8","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H68 Cl11.5 N4 O8 Pd2 -","- C61.5 H68 Cl11.4999 N4 O8 Pd2 -","- C246 H272 Cl45.9996 N16 O32 Pd8 -","4","1","","Greb, Lutz; Mutlu, Hatice; Barner-Kowollik, Christopher; Lehn, Jean-Marie","Photo- and Metallo-responsive N-Alkyl α-Bisimines as Orthogonally Addressable Main-Chain Functional Groups in Metathesis Polymers.","Journal of the American Chemical Society","2016","138","4","1142","1145","10.1021/jacs.5b12198","","","0.71073","MoKα","","0.1089","0.0734","","","0.2061","0.232","","","","","","1.048","","","","has coordinates,has disorder","240573","2020-10-21","18:00:00",""
"4129958","9.6534","0.0004","12.1371","0.0006","19.5361","0.001","98.81","0.004","97.793","0.004","90.592","0.004","2239.91","0.19","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C104 H128 N8 O8 -","4","2","","Greb, Lutz; Mutlu, Hatice; Barner-Kowollik, Christopher; Lehn, Jean-Marie","Photo- and Metallo-responsive N-Alkyl α-Bisimines as Orthogonally Addressable Main-Chain Functional Groups in Metathesis Polymers.","Journal of the American Chemical Society","2016","138","4","1142","1145","10.1021/jacs.5b12198","","","0.71073","MoKα","","0.1145","0.0486","","","0.0901","0.1077","","","","","","0.914","","","","has coordinates","240574","2020-10-21","18:00:00",""
"4129959","22.413","0.0009","16.4854","0.0008","24.6252","0.0012","90","","96.581","0.003","90","","9038.7","0.7","100","2","99.99","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C87 H53 Cl2 F13 Fe4 N12 O10 S2 -","- C87 H55 Cl2 F13 Fe4 N12 O10 S2 -","- C348 H220 Cl8 F52 Fe16 N48 O40 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","1.54178","CuKα","","0.2783","0.1492","","","0.3675","0.4403","","","","","","1.151","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129960","17.22","0.0005","26.3779","0.0009","19.6922","0.0006","90","","99.724","0.001","90","","8816.2","0.5","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C95 H83 Cl4 F3 Fe4 N12 O10 S -","- C95 H83 Cl4 F3 Fe4 N12 O10 S -","- C380 H332 Cl16 F12 Fe16 N48 O40 S4 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","0.71073","MoKα","","0.1008","0.0683","","","0.1774","0.1968","","","","","","1.046","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129961","24.3192","0.0013","30.6264","0.0016","24.9005","0.0014","90","","95.8456","0.0017","90","","18449.7","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C192.99 H160.09 F12 Fe8 N29.4 O24.67 S4 -","- C192.99 H160.092 F12 Fe8 N29.404 O24.676 S4 -","- C771.96 H640.368 F48 Fe32 N117.616 O98.704 S16 -","4","0.5","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","0.71073","MoKα","","0.1263","0.0773","","","0.2051","0.244","","","","","","1.042","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129962","14.9873","0.0004","26.9656","0.0007","22.7659","0.0006","90","","100.818","0.002","90","","9037.1","0.4","100","2","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93.2 H70.8 F11 Fe4 N13.6 O13 S2 -","- C93.2 H70.8 F11 Fe4 N13.6 O13 S2 -","- C372.8 H283.2 F44 Fe16 N54.4 O52 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","1.54178","CuKα","","0.135","0.0857","","","0.206","0.2402","","","","","","1.012","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129963","22.6768","0.0014","17.606","0.0011","24.2443","0.0014","90","","96.7988","0.0018","90","","9611.4","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97.52 H75.28 F12 Fe4 N15.76 O11 S2 -","- C97.518 H75.277 F12 Fe4 N15.759 O11 S2 -","- C390.072 H301.108 F48 Fe16 N63.036 O44 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Takase, Michael K.; Agapie, Theodor","Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes.","Journal of the American Chemical Society","2016","138","5","1486","1489","10.1021/jacs.5b12214","","","0.71073","MoKα","","0.1075","0.0792","","","0.2235","0.2467","","","","","","1.053","","","","has coordinates,has disorder","240575","2020-10-21","18:00:00",""
"4129964","25.425","0.005","31.58","0.006","47.448","0.01","90","","102.06","0.03","90","","37256","14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C180 H150 N71 O30 Pd6 -","- C180 H150 N71 O30 Pd6 -","- C720 H600 N284 O120 Pd24 -","4","1","","Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi","Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.","Journal of the American Chemical Society","2016","138","5","1668","1676","10.1021/jacs.5b12237","","","0.7","synchrotron","","0.1038","0.0805","","","0.2272","0.2459","","","","","","0.846","","","","has coordinates","240576","2020-10-21","18:00:00",""
"4129965","8.908","0.003","9.384","0.003","13.422","0.005","108.421","0.009","103.935","0.009","98.091","0.01","1004.1","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C52 H42 N2 O6 -","2","1","","Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi","Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.","Journal of the American Chemical Society","2016","138","5","1668","1676","10.1021/jacs.5b12237","","","0.71073","MoKα","","0.079","0.0458","","","0.1037","0.1213","","","","","","1.026","","","","has coordinates","240577","2020-10-21","18:00:00",""
"4129966","6.9717","0.0014","12.837","0.003","9.4361","0.0019","90","","111.68","","90","","784.8","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","0.5","","Howlader, Prodip; Das, Paramita; Zangrando, Ennio; Mukherjee, Partha Sarathi","Urea-Functionalized Self-Assembled Molecular Prism for Heterogeneous Catalysis in Water.","Journal of the American Chemical Society","2016","138","5","1668","1676","10.1021/jacs.5b12237","","","0.71073","MoKα","","0.1239","0.0922","","","0.2178","0.2313","","","","","","1.053","","","","has coordinates","240578","2020-10-21","18:00:00",""
"4129967","7.232","0.0007","10.7011","0.001","14.8484","0.0013","90","","90","","90","","1149.12","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","1","","Colletto, Chiara; Islam, Saidul; Juliá-Hernández, Francisco; Larrosa, Igor","Room-Temperature Direct β-Arylation of Thiophenes and Benzo[b]thiophenes and Kinetic Evidence for a Heck-type Pathway.","Journal of the American Chemical Society","2016","138","5","1677","1683","10.1021/jacs.5b12242","","","1.54178","CuKα","","0.0251","0.0243","","","0.0638","0.0643","","","","","","1.059","","","","has coordinates","240579","2020-10-21","18:00:00",""
"4129968","10.3548","0.0002","20.5134","0.0004","18.1042","0.0005","90","","101.821","0.001","90","","3764","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 Co N2 Si2 -","- C36 H62 Co N2 Si2 -","- C144 H248 Co4 N8 Si8 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","1.54178","CuKα","","0.0652","0.0593","","","0.1632","0.1698","","","","","","1.095","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4129969","12.3461","0.0007","13.3612","0.0008","17.5563","0.0011","90","","92.925","0.002","90","","2892.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Co N2 Si2 -","- C24 H50 Co N2 Si2 -","- C96 H200 Co4 N8 Si8 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0657","0.0414","","","0.0937","0.1088","","","","","","1.04","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129970","10.1386","0.0006","10.3429","0.0005","16.9441","0.0008","90","","97.22","0.003","90","","1762.71","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 B4 O8 -","- C32 H54 B4 O8 -","- C64 H108 B8 O16 -","2","0.5","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0666","0.0502","","","0.124","0.1327","","","","","","1.06","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129971","15.2146","0.0006","10.8264","0.0004","22.5475","0.0008","90","","109.475","0.001","90","","3501.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 B4 O8 -","- C32 H54 B4 O8 -","- C128 H216 B16 O32 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0668","0.0483","","","0.1181","0.1304","","","","","","0.936","","","","has coordinates,has disorder","240580","2020-10-21","18:00:00",""
"4129972","10.8115","0.0011","15.2429","0.0014","16.7747","0.0016","90","","90","","90","","2764.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 B3 O6 -","- C25 H41 B3 O6 -","- C100 H164 B12 O24 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0609","0.0442","","","0.0965","0.1064","","","","","","1.021","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129973","7.1942","0.0017","7.6321","0.0018","8.348","0.002","70.391","0.002","67.906","0.002","65.029","0.002","376.38","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H2 F I N2 S -","- C6 H2 F I N2 S -","- C12 H4 F2 I2 N4 S2 -","2","1","","Shi, Qinqin; Zhang, Siyuan; Zhang, Junxiang; Oswald, Victoria F.; Amassian, Aram; Marder, Seth R.; Blakey, Simon B.","KO(t)Bu-Initiated Aryl C-H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds.","Journal of the American Chemical Society","2016","138","12","3946","3949","10.1021/jacs.5b12259","","","0.71073","MoKα","","0.0317","0.0291","","","0.0724","0.0742","","","","","","1.06","","","","has coordinates","240581","2020-10-21","18:00:00",""
"4129974","4.21","0.0004","13.2907","0.001","14.1228","0.0011","90","","90","","90","","790.22","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 Br I2 N S -","- C3 Br I2 N S -","- C12 Br4 I8 N4 S4 -","4","1","","Shi, Qinqin; Zhang, Siyuan; Zhang, Junxiang; Oswald, Victoria F.; Amassian, Aram; Marder, Seth R.; Blakey, Simon B.","KO(t)Bu-Initiated Aryl C-H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds.","Journal of the American Chemical Society","2016","138","12","3946","3949","10.1021/jacs.5b12259","","","0.71073","MoKα","","0.0472","0.0393","","","0.0757","0.0793","","","","","","0.995","","","","has coordinates","240582","2020-10-21","18:00:00",""
"4129975","18.473","0.003","18.473","0.003","52.11","0.01","90","","90","","120","","15400","5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H74 Cu2 N6 O19 -","- C32 H22 Cu2 O10 -","- C288 H198 Cu18 O90 -","9","0.5","","Yan, Yong; Juríček, Michal; Coudert, François-Xavier; Vermeulen, Nicolaas A.; Grunder, Sergio; Dailly, Anne; Lewis, William; Blake, Alexander J.; Stoddart, J. Fraser; Schröder, Martin","Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.","Journal of the American Chemical Society","2016","138","10","3371","3381","10.1021/jacs.5b12312","","","0.71073","MoKα","","0.192","0.1082","","","0.2618","0.2815","","","","","","1.085","","","","has coordinates,has disorder","240583","2020-10-21","18:00:00",""
"4129976","18.3194","0.0005","18.3194","0.0005","65.6209","0.0019","90","","90","","120","","19072","0.9","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61 H91 Cu2 N7 O21 -","- C40 H30 Cu2 O10 -","- C360 H270 Cu18 O90 -","9","0.5","","Yan, Yong; Juríček, Michal; Coudert, François-Xavier; Vermeulen, Nicolaas A.; Grunder, Sergio; Dailly, Anne; Lewis, William; Blake, Alexander J.; Stoddart, J. Fraser; Schröder, Martin","Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.","Journal of the American Chemical Society","2016","138","10","3371","3381","10.1021/jacs.5b12312","","","0.6889","synchrotron","","0.15","0.144","","","0.406","0.42","","","","","","1.95","","","","has coordinates,has disorder","240583","2020-10-21","18:00:00",""
"4129977","8.6935","0.0001","25.5171","0.0005","32.5555","0.0007","90","","90","","90","","7221.9","0.2","100","2","100","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C54.25 H34 Cd2 N13 O15 -","- C54 H34 Cd2 N12.861 O14.722 -","- C216 H136 Cd8 N51.444 O58.888 -","4","1","","Koo, Jin Young; Yakiyama, Yumi; Lee, Gil Ryeong; Lee, Jinho; Choi, Hee Cheul; Morita, Yasushi; Kawano, Masaki","Selective Formation of Conductive Network by Radical-Induced Oxidation.","Journal of the American Chemical Society","2016","138","6","1776","1779","10.1021/jacs.5b12355","","","0.6889","synchrotron","","0.0877","0.0673","","","0.1865","0.1955","","","","","","0.977","","","","has coordinates,has disorder","240584","2020-10-21","18:00:00",""
"4129978","17.868","0.0002","15.1867","0.0002","33.7475","0.0006","90","","98.694","0.001","90","","9052.4","0.2","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C80.5 H49 Cd2.5 N19.5 O23 -","- C79.5 H49 Cd2.397 N18.8 O19.975 -","- C318 H196 Cd9.588 N75.2 O79.9 -","4","1","","Koo, Jin Young; Yakiyama, Yumi; Lee, Gil Ryeong; Lee, Jinho; Choi, Hee Cheul; Morita, Yasushi; Kawano, Masaki","Selective Formation of Conductive Network by Radical-Induced Oxidation.","Journal of the American Chemical Society","2016","138","6","1776","1779","10.1021/jacs.5b12355","","","0.6889","synchrotron","","0.1249","0.0806","","","0.2506","0.2754","","","","","","1.008","","","","has coordinates,has disorder","240585","2020-10-21","18:00:00",""
"4129979","47.21","0.002","47.21","0.002","9.9682","0.0004","90","","90","","120","","19240.5","1.4","150","2","150","2","","","","","","","","4","P -3","-P 3","147","CAU-17","","","- C81 H27 Bi9 O63 -","- C81 H27 Bi9 O63 -","- C486 H162 Bi54 O378 -","6","1","","Inge, A. Ken; Köppen, Milan; Su, Jie; Feyand, Mark; Xu, Hongyi; Zou, Xiaodong; O'Keeffe, Michael; Stock, Norbert","Unprecedented Topological Complexity in a Metal-Organic Framework Constructed from Simple Building Units.","Journal of the American Chemical Society","2016","138","6","1970","1976","10.1021/jacs.5b12484","","","0.6889","","","0.1985","0.1061","","","0.2053","0.2623","","","","","","1.043","","","","has coordinates","240586","2020-10-21","18:00:00",""
"4129980","22.901","0.003","22.901","0.003","22.272","0.005","90","","90","","120","","10116","3","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C41 H57 Cu6 I4 N11 O3 -","- C32 H36 Cu6 I4 N8 -","- C192 H216 Cu36 I24 N48 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0652","0.0428","","","0.1113","0.1176","","","","","","1.011","","","","has coordinates","240587","2020-10-21","18:00:00",""
"4129981","22.22","0.003","22.22","0.003","22.487","0.005","90","","90","","120","","9615","3","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C41 H57 Cu6 I4 N11 O3 -","- C35 H36 Cu6 I4 N9 -","- C210 H216 Cu36 I24 N54 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0541","0.045","","","0.1394","0.1435","","","","","","1.097","","","","has coordinates","240588","2020-10-21","18:00:00",""
"4129982","22.92","0.003","22.92","0.003","22.27","0.005","90","","90","","120","","10132","3","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C41 H57 Cu6 I4 N11 O3 -","- C32 H36 Cu6 I4 N8 -","- C192 H216 Cu36 I24 N48 -","6","0.5","","Luo, Xiaolong; Cao, Yu; Wang, Tao; Li, Guanghua; Li, Jiangang; Yang, Yonggang; Xu, Zhongxuan; Zhang, Jian; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Host-Guest Chirality Interplay: A Mutually Induced Formation of a Chiral ZMOF and Its Double-Helix Polymer Guests.","Journal of the American Chemical Society","2016","138","3","786","789","10.1021/jacs.5b12516","","","0.71073","MoKα","","0.0812","0.0492","","","0.1233","0.1326","","","","","","1.012","","","","has coordinates","240589","2020-10-21","18:00:00",""
"4129983","25.893","0.005","12.995","0.003","6.5547","0.0014","90","","90","","90","","2205.5","0.8","130","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Liu, Yuesheng; Wang, Lijun; Deng, Liang","Selective Double Carbomagnesiation of Internal Alkynes Catalyzed by Iron-N-Heterocyclic Carbene Complexes: A Convenient Method to Highly Substituted 1,3-Dienyl Magnesium Reagents.","Journal of the American Chemical Society","2016","138","1","112","115","10.1021/jacs.5b12522","","","0.71073","MoKα","","0.0816","0.0557","","","0.111","0.1218","","","","","","1.037","","","","has coordinates","240590","2020-10-21","18:00:00",""
"4129984","17.4002","0.0018","8.8803","0.0009","18.069","0.002","90","","113.935","0.002","90","","2551.9","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 I -","- C29 H35 I -","- C116 H140 I4 -","4","1","","Liu, Yuesheng; Wang, Lijun; Deng, Liang","Selective Double Carbomagnesiation of Internal Alkynes Catalyzed by Iron-N-Heterocyclic Carbene Complexes: A Convenient Method to Highly Substituted 1,3-Dienyl Magnesium Reagents.","Journal of the American Chemical Society","2016","138","1","112","115","10.1021/jacs.5b12522","","","0.71073","MoKα","","0.0953","0.0462","","","0.1127","0.1408","","","","","","0.942","","","","has coordinates","240590","2020-10-21","18:00:00",""
"4129985","14.9865","0.0005","7.9786","0.0003","34.6321","0.0012","90","","101.364","0.002","90","","4059.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C55 H54 O -","- C55 H54 O -","- C220 H216 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.067","0.0486","","","0.1184","0.1306","","","","","","1.033","","","","has coordinates","240591","2020-10-21","18:00:00",""
"4129986","32.7089","0.0012","14.2715","0.0005","15.626","0.0006","90","","104.233","0.002","90","","7070.4","0.5","161","2","161","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H25 F12 O -","- C39 H25 F12 O -","- C312 H200 F96 O8 -","8","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.0753","0.0625","","","0.1735","0.187","","","","","","1.044","","","","has coordinates,has disorder","240592","2020-10-21","18:00:00",""
"4129987","7.7536","0.0003","8.4647","0.0004","16.2224","0.0008","83.656","0.002","80.33","0.002","65.602","0.001","954.85","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 F5 O -","- C26 H19 F5 O -","- C52 H38 F10 O2 -","2","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","0.71073","MoKα","","0.0609","0.0457","","","0.1186","0.128","","","","","","1.032","","","","has coordinates","240593","2020-10-21","18:00:00",""
"4129988","10.948","0.0004","12.0802","0.0004","16.2323","0.0006","69.553","0.002","76.264","0.002","79.814","0.002","1943.58","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C102 H108 O6 -","- C102 H108 O6 -","- C102 H108 O6 -","1","0.5","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.089","0.057","","","0.1413","0.1578","","","","","","1.029","","","","has coordinates,has disorder","240594","2020-10-21","18:00:00",""
"4129989","9.2447","0.0004","27.6365","0.001","14.8907","0.0005","90","","98.658","0.003","90","","3761.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 O -","- C50 H50 O -","- C200 H200 O4 -","4","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","1.54178","CuKα","","0.0889","0.05","","","0.1152","0.1311","","","","","","1.022","","","","has coordinates","240595","2020-10-21","18:00:00",""
"4129990","26.3642","0.0016","16.1386","0.0009","23.42","0.002","90","","119.461","0.0018","90","","8676.2","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 O2 -","- C58 H60 O2 -","- C464 H480 O16 -","8","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","0.71073","MoKα","","0.0613","0.0513","","","0.1386","0.1481","","","","","","1.021","","","","has coordinates","240596","2020-10-21","18:00:00",""
"4129991","15.7254","0.0008","16.3","0.0008","19.7644","0.001","88.0843","0.0009","73.1877","0.0009","70.5165","0.0009","4560.7","0.4","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C108 H112 Cl6 O6 -","- C108 H112 Cl6 O6 -","- C216 H224 Cl12 O12 -","2","1","","Hu, Pan; Lee, Sangsu; Herng, Tun Seng; Aratani, Naoki; Gonçalves, Théo P; Qi, Qingbiao; Shi, Xueliang; Yamada, Hiroko; Huang, Kuo-Wei; Ding, Jun; Kim, Dongho; Wu, Jishan","Toward Tetraradicaloid: The Effect of Fusion Mode on Radical Character and Chemical Reactivity.","Journal of the American Chemical Society","2016","138","3","1065","1077","10.1021/jacs.5b12532","","","0.71073","MoKα","","0.0871","0.064","","","0.1703","0.1934","","","","","","1.024","","","","has coordinates,has disorder","240597","2020-10-21","18:00:00",""
"4129992","12.797","0.0008","21.5812","0.0015","17.5714","0.001","90","","93.118","0.004","90","","4845.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H28.5 B Cl1.5 F20 O Zr -","- C52 H28.5 B Cl1.5 F20 O Zr -","- C208 H114 B4 Cl6 F80 O4 Zr4 -","4","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0825","0.0471","","","0.0947","0.1076","","","","","","1.014","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129993","14.7527","0.0003","18.8854","0.0004","19.4012","0.0004","90","","93.297","0.001","90","","5396.43","0.19","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H46 B Cl F20 O Zr -","- C59 H46 B Cl F20 O Zr -","- C236 H184 B4 Cl4 F80 O4 Zr4 -","4","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0766","0.0493","","","0.108","0.1184","","","","","","1.053","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129994","9.9785","0.0003","31.1578","0.0009","10.1034","0.0003","90","","113.626","0.0015","90","","2877.95","0.15","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H56 B F20 O3 P Zr -","- C60 H56 B F20 O3 P Zr -","- C120 H112 B2 F40 O6 P2 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0377","0.031","","","0.0603","0.0625","","","","","","1.017","","","","has coordinates","240598","2020-10-21","18:00:00",""
"4129995","13.3376","0.0002","13.821","0.0003","14.9684","0.0003","74.9625","0.0009","66.3765","0.0008","89.8892","0.0009","2425.17","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H34 B Cl F20 O2 Zr -","- C53 H34 B Cl F20 O2 Zr -","- C106 H68 B2 Cl2 F40 O4 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0319","0.0278","","","0.0673","0.0695","","","","","","1.021","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129996","10.6322","0.0002","31.07","0.0008","17.1127","0.0004","90","","96.56","0.001","90","","5616","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H54 B Cl F20 O2 Zr -","- C63 H54 B Cl F20 O2 Zr -","- C252 H216 B4 Cl4 F80 O8 Zr4 -","4","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0417","0.0321","","","0.073","0.0778","","","","","","1.029","","","","has coordinates","240598","2020-10-21","18:00:00",""
"4129997","12.6964","0.0004","15.2765","0.0005","19.25","0.0006","73.594","0.002","74.388","0.002","82.392","0.002","3443.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H62 B F20 O P Zr -","- C79 H62 B F20 O P Zr -","- C158 H124 B2 F40 O2 P2 Zr2 -","2","1","","Metters, Owen J.; Forrest, Sebastian J. K.; Sparkes, Hazel A.; Manners, Ian; Wass, Duncan F.","Small Molecule Activation by Intermolecular Zr(IV)-Phosphine Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","6","1994","2003","10.1021/jacs.5b12536","","","0.71073","MoKα","","0.0894","0.0461","","","0.0829","0.0975","","","","","","1.003","","","","has coordinates,has disorder","240598","2020-10-21","18:00:00",""
"4129998","13.4486","0.0011","10.8936","0.0009","18.8713","0.0016","90","","94.695","0.002","90","","2755.4","0.4","100","2","99.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl3 Fe N2 -","- C29 H31 Cl3 Fe N2 -","- C116 H124 Cl12 Fe4 N8 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0585","0.0295","","","0.0486","0.0531","","","","","","0.874","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4129999","12.1706","0.0018","16.847","0.003","19.035","0.003","90","","93.66","0.003","90","","3894.9","1.1","100","1","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl3 F Fe N3 -","- C41 H47 Cl3 F Fe N3 -","- C164 H188 Cl12 F4 Fe4 N12 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0789","0.0559","","","0.1471","0.1632","","","","","","1.037","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130000","12.748","0.0009","13.0508","0.0009","19.9343","0.0013","96.724","0.0013","96.731","0.0013","113.915","0.0012","2961","0.4","100","1","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H56 Cl6 F6 Fe2 N5 -","- C57 H56 Cl6 F6 Fe2 N5 -","- C114 H112 Cl12 F12 Fe4 N10 -","2","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1058","0.0614","","","0.168","0.1922","","","","","","1.058","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130001","13.6061","0.0006","31.1222","0.0014","17.3548","0.0007","90","","103.397","0.001","90","","7148.9","0.5","100","1","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H63 Cl6 F12 Fe2 N6 -","- C65 H63 Cl6 F12 Fe2 N6 -","- C260 H252 Cl24 F48 Fe8 N24 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1348","0.0784","","","0.1946","0.2255","","","","","","1.029","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130002","22.108","0.003","11.9657","0.0017","25.005","0.004","90","","90","","90","","6614.8","1.7","100","1","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H32.5 Cl2 F6 Fe N3 -","- C32.5 H32.5 Cl2 F6 Fe N3 -","- C260 H260 Cl16 F48 Fe8 N24 -","8","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1072","0.0597","","","0.1439","0.1605","","","","","","0.954","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130003","12.267","0.004","12.613","0.004","13.807","0.004","76.462","0.004","82.7","0.004","71.185","0.004","1962.8","1.1","100","1","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 Cl3 F6 Fe N3 -","- C37 H35 Cl3 F6 Fe N3 -","- C74 H70 Cl6 F12 Fe2 N6 -","2","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.1692","0.0923","","","0.2581","0.3026","","","","","","1.038","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130004","15.064","0.002","17.537","0.003","11.077","0.003","90","","126.613","0.002","90","","2348.9","0.8","100","1","99.99","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H25 Cl4 Fe N2 -","- C23 H25 Cl4 Fe N2 -","- C92 H100 Cl16 Fe4 N8 -","4","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0321","0.0271","","","0.0465","0.0478","","","","","","1.023","","","","has coordinates","240600","2020-10-21","18:00:00",""
"4130005","11.6153","0.0011","11.8003","0.001","16.1066","0.0015","73.913","0.002","88.916","0.002","85.031","0.002","2113.2","0.3","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 Cl2 F12 Fe N4 -","- C39 H33 Cl2 F12 Fe N4 -","- C78 H66 Cl4 F24 Fe2 N8 -","2","1","","Iovan, Diana A.; Betley, Theodore A.","Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.","Journal of the American Chemical Society","2016","138","6","1983","1993","10.1021/jacs.5b12582","","","0.71073","MoKα","","0.0984","0.0587","","","0.1211","0.1322","","","","","","1.036","","","","has coordinates,has disorder","240600","2020-10-21","18:00:00",""
"4130006","13.793","0.003","15.003","0.003","17.037","0.002","110.736","0.01","109.193","0.011","94.824","0.014","3032.6","1.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H178 Cs2 O26 S2 Si6 U2 -","- C80 H178 Cs2 O26 S2 Si6 U2 -","- C80 H178 Cs2 O26 S2 Si6 U2 -","1","0.5","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.1288","0.0836","","","0.2099","0.2552","","","","","","1.072","","","","has coordinates,has disorder","240601","2020-10-21","18:00:00",""
"4130007","14.155","0.003","29.331","0.007","27.558","0.005","90","","91.061","0.016","90","","11440","4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H178 Cs2 N O26 Si6 U2 -","- C80 H178 Cs2 N O26 Si6 U2 -","- C320 H712 Cs8 N4 O104 Si24 U8 -","4","1","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.1196","0.0788","","","0.1712","0.1999","","","","","","1.136","","","","has coordinates","240602","2020-10-21","18:00:00",""
"4130008","14.215","0.002","17.0473","0.0014","24.193","0.003","90","","90","","90","","5862.6","1.2","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C72 H162 Cs3 N O24 Si6 U2 -","- C72 H162 Cs3 N O24 Si6 U2 -","- C144 H324 Cs6 N2 O48 Si12 U4 -","2","0.5","","Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella","Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.","Journal of the American Chemical Society","2016","138","6","1784","1787","10.1021/jacs.5b12620","","","0.71073","MoKα","","0.084","0.0613","","","0.154","0.1756","","","","","","1.054","","","","has coordinates","240603","2020-10-21","18:00:00",""
"4130009","10.949","0.003","14.788","0.004","19.821","0.005","96.298","0.006","93.114","0.006","100.111","0.007","3131.5","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H158 N10 O4 Si4 -","- C140 H158 N10 O4 Si4 -","- C140 H158 N10 O4 Si4 -","1","0.5","","Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.","Coronene-Containing N-Heteroarenes: 13 Rings in a Row.","Journal of the American Chemical Society","2016","138","6","1792","1795","10.1021/jacs.5b12642","","","0.71073","MoKα","","0.2401","0.1219","","","0.2765","0.3418","","","","","","1.078","","","","has coordinates,has disorder","240604","2020-10-21","18:00:00",""
"4130010","10.9819","0.0003","14.4594","0.0003","21.1642","0.0005","87.3478","0.0017","88.199","0.002","86.441","0.002","3349.25","0.14","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C134 H144 Cl18 N10 O4 Si4 -","- C134 H144 Cl18 N10 O4 Si4 -","- C134 H144 Cl18 N10 O4 Si4 -","1","0.5","","Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.","Coronene-Containing N-Heteroarenes: 13 Rings in a Row.","Journal of the American Chemical Society","2016","138","6","1792","1795","10.1021/jacs.5b12642","","x-ray","1.54184","CuKα","","0.0962","0.0735","","","0.2041","0.2153","","","","","","1.032","","","","has coordinates","240605","2020-10-21","18:00:00",""
"4130011","8.16795","0.00014","17.8145","0.0003","23.4233","0.0004","79.0943","0.0015","89.6706","0.0014","77.4838","0.0015","3264.98","0.1","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C140 H182 N10 O18 Si4 -","- C140 H182 N10 O18 Si4 -","- C140 H182 N10 O18 Si4 -","1","0.5","","Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.","Coronene-Containing N-Heteroarenes: 13 Rings in a Row.","Journal of the American Chemical Society","2016","138","6","1792","1795","10.1021/jacs.5b12642","","x-ray","1.54184","CuKα","","0.0824","0.0677","","","0.1802","0.1929","","","","","","1.034","","","","has coordinates,has disorder","240605","2020-10-21","18:00:00",""
"4130012","11.15","0.005","16.151","0.007","22.239","0.01","90","","104.421","0.007","90","","3879","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H62 Co N6 O2 -","- C37 H62 Co N6 O2 -","- C148 H248 Co4 N24 O8 -","4","1","","Corcos, Amanda R.; Villanueva, Omar; Walroth, Richard C.; Sharma, Savita K.; Bacsa, John; Lancaster, Kyle M.; MacBeth, Cora E.; Berry, John F.","Oxygen Activation by Co(II) and a Redox Non-Innocent Ligand: Spectroscopic Characterization of a Radical-Co(II)-Superoxide Complex with Divergent Catalytic Reactivity.","Journal of the American Chemical Society","2016","138","6","1796","1799","10.1021/jacs.5b12643","","","0.71073","MoKα","","0.0721","0.0482","","","0.121","0.1353","","","","","","1.031","","","","has coordinates,has disorder","240606","2020-10-21","18:00:00",""
"4130013","36.8939","0.0006","22.066","0.0005","39.9832","0.0007","90","","102.216","0.0018","90","","31813.3","1.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C279 H178 Ag28 Au34 -","- C279 H178 Ag28 Au34 -","- C1116 H712 Ag112 Au136 -","4","1","","Wang, Yu; Wan, Xian-Kai; Ren, Liting; Su, Haifeng; Li, Gang; Malola, Sami; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Teo, Boon K.; Wang, Quan-Ming; Zheng, Nanfeng","Atomically Precise Alkynyl-Protected Metal Nanoclusters as a Model Catalyst: Observation of Promoting Effect of Surface Ligands on Catalysis by Metal Nanoparticles.","Journal of the American Chemical Society","2016","138","10","3278","3281","10.1021/jacs.5b12730","","x-ray","1.54184","CuKα","","0.0935","0.0604","","","0.1484","0.1666","","","","","","1.066","","","","has coordinates","240607","2020-10-21","18:00:00",""
"4130014","11.72284","0.00019","14.8569","0.0002","28.5647","0.0005","90","","90","","90","","4974.97","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H21 B F4 Fe N5 O S -","- C24 H21 B F4 Fe N5 O S -","- C192 H168 B8 F32 Fe8 N40 O8 S8 -","8","1","","McQuilken, Alison C.; Matsumura, Hirotoshi; Dürr, Maximilian; Confer, Alex M.; Sheckelton, John P.; Siegler, Maxime A.; McQueen, Tyrel M.; Ivanović-Burmazović, Ivana; Moënne-Loccoz, Pierre; Goldberg, David P.","Photoinitiated Reactivity of a Thiolate-Ligated, Spin-Crossover Nonheme {FeNO}(7) Complex with Dioxygen.","Journal of the American Chemical Society","2016","138","9","3107","3117","10.1021/jacs.5b12741","","","1.54178","CuKα","","0.0637","0.049","","","0.1372","0.1496","","","","","","1.028","","","","has coordinates,has disorder","240608","2020-10-21","18:00:00",""
"4130015","14.701","0.005","14.717","0.005","22.163","0.007","73.645","0.003","72.336","0.003","62.544","0.003","3997","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H67 F12 N11 O6 P2 Ru -","- C89 H67 F12 N11 O6 P2 Ru -","- C178 H134 F24 N22 O12 P4 Ru2 -","2","1","","Nakamura, Takashi; Kimura, Hikaru; Okuhara, Takashi; Yamamura, Masaki; Nabeshima, Tatsuya","A Hierarchical Self-Assembly System Built Up from Preorganized Tripodal Helical Metal Complexes.","Journal of the American Chemical Society","2016","138","3","794","797","10.1021/jacs.5b12752","","","0.71073","MoKα","","0.1065","0.071","","","0.2001","0.2208","","","","","","1.36","","","","has coordinates","240609","2020-10-21","18:00:00",""
"4130016","13.6081","0.0005","9.9487","0.0004","9.4287","0.0003","90","","90","","90","","1276.48","0.08","173","0.1","173","0.1","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C8 H10 Cu N6 O7 -","- C8 H8 Cu N6 O7 -","- C32 H32 Cu4 N24 O28 -","4","0.5","","Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero","Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.","Journal of the American Chemical Society","2016","138","7","2280","2291","10.1021/jacs.5b12817","","x-ray","0.71073","MoKα","","0.0699","0.0475","","","0.1007","0.1094","","","","","","1.057","","","","has coordinates","240610","2020-10-21","18:00:00",""
"4130017","6.70122","0.00007","5.11854","0.00005","11.63508","0.0001","90","","90","","90","","399.089","0.007","100","0.5","100","0.5","","","","","","","from Jamie L. Manson","5","P m n a","-P 2ac 2","53","","catena-(bis(μ~2~-pyrazine-N,N')-bis(nitrato-O,O')-copper(ii))","","- C4 H4 Cu N4 O6 -","- C4 H4 Cu N4 O6 -","- C8 H8 Cu2 N8 O12 -","2","0.25","","Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero","Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets.","Journal of the American Chemical Society","2016","138","7","2280","2291","10.1021/jacs.5b12817","","","0.7107","MoKα","","0.012","0.009","","","","0.026","","","","","","0.832","","","","has coordinates","240611","2020-10-21","18:00:00",""
"4130018","7.047","0.002","14.854","0.005","15.221","0.006","90","","97.455","0.01","90","","1579.8","0.9","150","2","150.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 B F5 O2 -","- C20 H8 B F5 O2 -","- C80 H32 B4 F20 O8 -","4","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1157","0.0772","","","0.199","0.2236","","","","","","1.0968","","","","has coordinates","240612","2020-10-21","18:00:00",""
"4130019","13.1089","0.001","23.2919","0.0019","14.0746","0.0009","90","","99.583","0.004","90","","4237.4","0.5","149","2","149","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 B F10 O2 -","- C26 H8 B F10 O2 -","- C208 H64 B8 F80 O16 -","8","2","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1681","0.0862","","","0.2303","0.279","","","","","","1.0764","","","","has coordinates","240613","2020-10-21","18:00:00",""
"4130020","11.0423","0.0008","16.9039","0.0013","21.2807","0.0014","90","","97.057","0.003","90","","3942.1","0.5","150","2","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B Co F10 O2 -","- C46 H38 B Co F10 O2 -","- C184 H152 B4 Co4 F40 O8 -","4","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.0886","0.0524","","","0.1267","0.1459","","","","","","1.0642","","","","has coordinates","240614","2020-10-21","18:00:00",""
"4130021","25.3133","0.0018","15.9662","0.0018","16.4","0.0013","90","","117.857","0.007","90","","5860.1","1","150","2","150.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H18 B Co F10 O2 -","- C38 H18 B Co F10 O2 -","- C304 H144 B8 Co8 F80 O16 -","8","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1099","0.047","","","0.0727","0.0905","","","","","","1.0326","","","","has coordinates","240615","2020-10-21","18:00:00",""
"4130022","17.3619","0.001","20.3198","0.0013","13.4759","0.0008","90","","90","","90","","4754.2","0.5","149","2","148.82","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28.5 H9 B Cl F10 O2 -","- C28.5 H9 B Cl F10 O2 -","- C228 H72 B8 Cl8 F80 O16 -","8","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.1277","0.0485","","","0.0885","0.1149","","","","","","1.0415","","","","has coordinates,has disorder","240616","2020-10-21","18:00:00",""
"4130023","10.9016","0.0011","11.8469","0.0011","11.8554","0.0012","84.408","0.005","80.506","0.005","88.459","0.005","1502.9","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H10 B Cl2 F15 O2 -","- C33 H10 B Cl2 F15 O2 -","- C66 H20 B2 Cl4 F30 O4 -","2","1","","Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Stable Borocyclic Radicals via Frustrated Lewis Pair Hydrogenations.","Journal of the American Chemical Society","2016","138","8","2500","2503","10.1021/jacs.5b12823","","","0.71073","MoKα","","0.0934","0.0459","","","0.0921","0.1112","","","","","","1.0285","","","","has coordinates","240617","2020-10-21","18:00:00",""
"4130024","26.8014","0.0017","26.8014","0.0017","30.1916","0.0019","90","","90","","90","","21687","2","100.15","","100.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C59.8 H66.2 Cl3 N4 Ni O -","- C54 H59 Cl3 N4 Ni O -","- C864 H944 Cl48 N64 Ni16 O16 -","16","1","","Martinez, Gabriel Espinosa; Ocampo, Cristian; Park, Yun Ji; Fout, Alison R.","Accessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates.","Journal of the American Chemical Society","2016","138","13","4290","4293","10.1021/jacs.5b12827","","x-ray","0.71073","MoKα","","0.0627","0.0432","","","0.118","0.1256","","","","","","1.056","","","","has coordinates,has disorder","240618","2020-10-21","18:00:00",""
"4130025","8.6747","0.0004","13.9513","0.0007","16.8043","0.0008","111.461","0.0018","101.546","0.002","97.071","0.002","1810.91","0.15","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H45 Br N4 Ni -","- C44 H45 Br N4 Ni -","- C88 H90 Br2 N8 Ni2 -","2","1","","Martinez, Gabriel Espinosa; Ocampo, Cristian; Park, Yun Ji; Fout, Alison R.","Accessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates.","Journal of the American Chemical Society","2016","138","13","4290","4293","10.1021/jacs.5b12827","","x-ray","0.71073","MoKα","","0.037","0.0299","","","0.0689","0.0725","","","","","","1.098","","","","has coordinates","240618","2020-10-21","18:00:00",""
"4130026","13.3193","0.0016","18.921","0.002","15.612","0.0019","90","","90.851","0.006","90","","3934","0.8","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H45 Br3 N4 Ni -","- C44 H45 Br3 N4 Ni -","- C176 H180 Br12 N16 Ni4 -","4","1","","Martinez, Gabriel Espinosa; Ocampo, Cristian; Park, Yun Ji; Fout, Alison R.","Accessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates.","Journal of the American Chemical Society","2016","138","13","4290","4293","10.1021/jacs.5b12827","","x-ray","0.71073","MoKα","","0.0249","0.02","","","0.0509","0.0524","","","","","","1.062","","","","has coordinates","240618","2020-10-21","18:00:00",""
"4130027","9.294","0.0008","11.7682","0.001","16.3112","0.0014","90","","90.1712","0.0012","90","","1784","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd-complex","Pd-complex","","- C15 H22 N2 O4 Pd S2 -","- C15 H22 N2 O4 Pd S2 -","- C60 H88 N8 O16 Pd4 S8 -","4","1","","Sberegaeva, Anna V.; Zavalij, Peter Y.; Vedernikov, Andrei N.","Oxidation of a Monomethylpalladium(II) Complex with O2 in Water: Tuning Reaction Selectivity to Form Ethane, Methanol, or Methylhydroperoxide.","Journal of the American Chemical Society","2016","138","4","1446","1455","10.1021/jacs.5b12832","","","0.71073","MoKα","","0.0189","0.0176","","","0.0393","0.0398","","","","","","1","","","","has coordinates","240619","2020-10-21","18:00:00",""
"4130028","8.7745","0.0002","10.2125","0.0003","17.6501","0.0005","90","","90","","90","","1581.62","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","","Moreno, Jesus; Picazo, Elias; Morrill, Lucas A.; Smith, Joel M.; Garg, Neil K.","Enantioselective Total Syntheses of Akuammiline Alkaloids (+)-Strictamine, (-)-2(S)-Cathafoline, and (-)-Aspidophylline A.","Journal of the American Chemical Society","2016","138","4","1162","1165","10.1021/jacs.5b12880","","","1.54178","CuKα","","0.0234","0.0232","","","0.0577","0.0578","","","","","","1.071","","","","has coordinates","240620","2020-10-21","18:00:00",""
"4130029","11.7654","0.0004","10.6457","0.0004","29.5927","0.001","90","","97.818","0.002","90","","3672.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 N4 O15 Zn -","- C45 H29 N4 O15 Zn -","- C180 H116 N16 O60 Zn4 -","4","1","","Zeng, Le; Liu, Tao; He, Cheng; Shi, Dongying; Zhang, Feili; Duan, Chunying","Organized Aggregation Makes Insoluble Perylene Diimide Efficient for the Reduction of Aryl Halides via Consecutive Visible Light-Induced Electron-Transfer Processes.","Journal of the American Chemical Society","2016","138","12","3958","3961","10.1021/jacs.5b12931","","","0.71073","MoKα","","0.1116","0.0691","","","0.1782","0.1942","","","","","","1.03","","","","has coordinates,has disorder","240621","2020-10-21","18:00:00",""
"4130030","22.5853","0.0015","18.2181","0.0013","22.6199","0.0016","90","","101.533","0.004","90","","9119.3","1.1","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","20120034","","","- C44 H32 Cl2 F12 Rh2 -","- C44 H32 Cl2 F12 Rh2 -","- C352 H256 Cl16 F96 Rh16 -","8","2","","Chen, Diao; Zhu, Dong-Xing; Xu, Ming-Hua","Rhodium(I)-Catalyzed Highly Enantioselective Insertion of Carbenoid into Si-H: Efficient Access to Functional Chiral Silanes.","Journal of the American Chemical Society","2016","138","5","1498","1501","10.1021/jacs.5b12960","","","0.71073","MoKα","","0.0733","0.0485","","","0.1177","0.1304","","","","","","0.965","","","","has coordinates","240622","2020-10-21","18:00:00",""
"4130031","19.7607","0.0018","10.0627","0.0009","20.2687","0.0018","90","","114.396","0.0011","90","","3670.5","0.6","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 B O4.5 -","- C21 H22 B O4.5 -","- C168 H176 B8 O36 -","8","2","","Faizi, Darius J.; Issaian, Adena; Davis, Ashlee J.; Blum, Suzanne A.","Catalyst-Free Synthesis of Borylated Lactones from Esters via Electrophilic Oxyboration.","Journal of the American Chemical Society","2016","138","7","2126","2129","10.1021/jacs.5b12989","","","0.71073","MoKα","","0.0705","0.0538","","","0.1464","0.1611","","","","","","1.059","","","","has coordinates","240623","2020-10-21","18:00:00",""
"4130032","22.185","0.004","5.4792","0.0009","15.545","0.002","90","","108.489","0.005","90","","1792.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","","Hong, Miao; Tang, Xiaoyan; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.","Journal of the American Chemical Society","2016","138","6","2021","2035","10.1021/jacs.5b13019","","","0.71073","MoKα","","0.0494","0.034","","","0.0905","0.1104","","","","","","1.136","","","","has coordinates","240624","2020-10-21","18:00:00",""
"4130033","10.2142","0.0004","18.8081","0.0007","10.5146","0.0004","90","","90.0144","0.0018","90","","2019.96","0.13","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O3 -","- C23 H23 N3 O3 -","- C92 H92 N12 O12 -","4","2","","Hong, Miao; Tang, Xiaoyan; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.","Journal of the American Chemical Society","2016","138","6","2021","2035","10.1021/jacs.5b13019","","","0.71073","MoKα","","0.0557","0.0426","","","0.1091","0.1393","","","","","","1.146","","","","has coordinates","240626","2020-10-21","18:00:00",""
"4130034","10.6171","0.0004","14.0098","0.0005","18.6989","0.0006","90","","94.495","0.001","90","","2772.78","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","TL5-SSS","","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","2","","Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C.","Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode.","Journal of the American Chemical Society","2016","138","7","2134","2137","10.1021/jacs.5b13041","","","1.54178","CuKα","","0.0361","0.0338","","","0.0965","0.0986","","","","","","1.07","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4130035","22.756","0.003","5.9048","0.0008","27.03","0.003","90","","95.999","0.009","90","","3612.1","0.8","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","ZO-1-21","","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C168 H160 Br8 N8 O16 -","8","2","","Liu, Chun; Oblak, E. Zachary; Vander Wal, Mark N.; Dilger, Andrew K.; Almstead, Danielle K.; MacMillan, David W. C.","Oxy-Allyl Cation Catalysis: An Enantioselective Electrophilic Activation Mode.","Journal of the American Chemical Society","2016","138","7","2134","2137","10.1021/jacs.5b13041","","","0.71073","MoKα","","0.0562","0.0338","","","0.0634","0.0666","","","","","","0.867","","","","has coordinates","240628","2020-10-21","18:00:00",""
"4130036","9.27","0.005","7.881","0.004","22.818","0.012","90","","99.868","0.012","90","","1642.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I O4 -","- C18 H17 I O4 -","- C72 H68 I4 O16 -","4","1","","Jia, Kunfang; Zhang, Fuyuan; Huang, Hanchu; Chen, Yiyun","Visible-Light-Induced Alkoxyl Radical Generation Enables Selective C(sp(3))-C(sp(3)) Bond Cleavage and Functionalizations.","Journal of the American Chemical Society","2016","138","5","1514","1517","10.1021/jacs.5b13066","","","0.71073","MoKα","","0.0808","0.056","","","0.1302","0.1429","","","","","","1.026","","","","has coordinates","240629","2020-10-21","18:00:00",""
"4130037","31.0979","0.0007","20.9092","0.0005","32.2003","0.0007","90","","98.199","0.001","90","","20723.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Palladium Carbonyl Phosphine Cluster","","","- C150 H296 O25.5 P12 Pd55 -","- C150 H296 O25.5 P12 Pd55 -","- C600 H1184 O102 P48 Pd220 -","4","0.5","","Erickson, Jeremiah D.; Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.","Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.","Journal of the American Chemical Society","2016","138","5","1502","1505","10.1021/jacs.5b13076","","","0.71073","MoKα","","0.0743","0.0442","","","0.1058","0.1285","","","","","","1.075","","","","has coordinates,has disorder","240630","2020-10-21","18:00:00",""
"4130038","19.1528","0.0007","25.4979","0.0009","19.907","0.0007","90","","93.43","0.002","90","","9704.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","palladium carbonylphosphine cluster","","","- C134 H266 O21 P12 Pd55 -","- C134 H266 O21 P12 Pd55 -","- C268 H532 O42 P24 Pd110 -","2","0.5","","Erickson, Jeremiah D.; Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.","Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.","Journal of the American Chemical Society","2016","138","5","1502","1505","10.1021/jacs.5b13076","","","1.54178","CuKα","","0.0408","0.0361","","","0.0991","0.1053","","","","","","1.033","","","","has coordinates,has disorder","240631","2020-10-21","18:00:00",""
"4130039","15.1689","0.0002","9.4736","0.0001","20.5469","0.0003","90","","102.81","0.0006","90","","2879.19","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N6 O2 P -","- C26 H47 N6 O2 P -","- C104 H188 N24 O8 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0449","0.0379","","","0.0991","0.1048","","","","","","1.041","","","","has coordinates","240632","2020-10-21","18:00:00",""
"4130040","18.29","0.0004","11.5237","0.0003","13.3929","0.0003","90","","109.359","0.001","90","","2663.2","0.11","100","2","100.03","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H47 N6 P -","- C25 H47 N6 P -","- C100 H188 N24 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0285","0.028","","","0.0779","0.0784","","","","","","1.035","","","","has coordinates","240633","2020-10-21","18:00:00",""
"4130041","17.3449","0.0004","9.8012","0.0002","17.5758","0.0004","90","","96.5693","0.001","90","","2968.28","0.11","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Au Cl N6 P -","- C25 H47 Au Cl N6 P -","- C100 H188 Au4 Cl4 N24 P4 -","4","1","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0255","0.0242","","","0.0554","0.0562","","","","","","1.052","","","","has coordinates","240634","2020-10-21","18:00:00",""
"4130042","10.7627","0.0002","11.3637","0.0002","14.0991","0.0002","70.7991","0.0007","70.3104","0.0008","88.7659","0.0007","1525.49","0.05","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H94 Cl4 N12 P2 Pd2 -","- C50 H94 Cl4 N12 P2 Pd2 -","- C50 H94 Cl4 N12 P2 Pd2 -","1","0.5","","Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian","Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.","Journal of the American Chemical Society","2016","138","6","1840","1843","10.1021/jacs.5b13116","","","0.71073","MoKα","","0.0305","0.0257","","","0.0582","0.0603","","","","","","1.041","","","","has coordinates","240635","2020-10-21","18:00:00",""
"4130043","11.723","0.002","16.048","0.003","28.56","0.006","90","","90","","90","","5373","1.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H42 Mn N O2 P2 -","- C25 H42 Mn N O2 P2 -","- C200 H336 Mn8 N8 O16 P16 -","8","1","","Nerush, Alexander; Vogt, Matthias; Gellrich, Urs; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Template Catalysis by Metal-Ligand Cooperation. C-C Bond Formation via Conjugate Addition of Non-activated Nitriles under Mild, Base-free Conditions Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2016","138","22","6985","6997","10.1021/jacs.5b13208","","","0.71073","MoKα","","0.0492","0.0365","","","0.0929","0.0994","","","","","","1.051","","","","has coordinates","240636","2020-10-21","18:00:00",""
"4130044","11.956","0.002","12.902","0.003","13.4","0.003","116.17","0.03","91.63","0.02","98.83","0.03","1822.4","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 Mn N2 O3 P2 -","- C37 H57 Mn N2 O3 P2 -","- C74 H114 Mn2 N4 O6 P4 -","2","1","","Nerush, Alexander; Vogt, Matthias; Gellrich, Urs; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Template Catalysis by Metal-Ligand Cooperation. C-C Bond Formation via Conjugate Addition of Non-activated Nitriles under Mild, Base-free Conditions Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2016","138","22","6985","6997","10.1021/jacs.5b13208","","","0.71073","MoKα","","0.0595","0.043","","","0.1066","0.1154","","","","","","1.054","","","","has coordinates","240636","2020-10-21","18:00:00",""
"4130045","24.2059","0.0013","25.05","0.0011","42.793","0.0019","94.394","0.003","91.966","0.003","115.651","0.002","23256","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","dg_03","dg_03_0m","","- C408 H357 In37 O102 P20 -","- C408 H357 In37 O102 P20 -","- C816 H714 In74 O204 P40 -","2","1","","Gary, Dylan C.; Flowers, Sarah E.; Kaminsky, Werner; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M.","Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster.","Journal of the American Chemical Society","2016","138","5","1510","1513","10.1021/jacs.5b13214","","","0.71073","MoKα","","0.179","0.1109","","","0.2992","0.3499","","","","","","1.133","","","","has coordinates,has disorder","240637","2020-10-21","18:00:00",""
"4130046","23.5228","0.0011","24.1862","0.0012","43.037","0.0019","84.905","0.003","88.006","0.003","63.079","0.003","21744.9","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","dg_052615","dg_052615","","- C408 H359 In37 O103 P20 -","- C408 H359 In37 O103 P20 -","- C816 H718 In74 O206 P40 -","2","1","","Gary, Dylan C.; Flowers, Sarah E.; Kaminsky, Werner; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M.","Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster.","Journal of the American Chemical Society","2016","138","5","1510","1513","10.1021/jacs.5b13214","","","0.71073","MoKα","","0.1935","0.1283","","","0.3359","0.3771","","","","","","1.205","","","","has coordinates,has disorder","240638","2020-10-21","18:00:00",""
"4130047","22.245","0.002","9.3234","0.0009","8.4228","0.0008","90","","90","","90","","1746.9","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Paul, Mathias; Breugst, Martin; Neudörfl, Jörg-Martin; Sunoj, Raghavan B.; Berkessel, Albrecht","Keto-Enol Thermodynamics of Breslow Intermediates.","Journal of the American Chemical Society","2016","138","15","5044","5051","10.1021/jacs.5b13236","","","0.71073","MoKα","","0.1319","0.0456","","","0.0673","0.0837","","","","","","0.818","","","","has coordinates","240639","2020-10-21","18:00:00",""
"4130048","7.5391","0.001","19.828","0.003","5.4014","0.0006","90","","90","","90","","807.43","0.19","100","2","100","2","","","","","","","","4","P c c 2","P 2 -2c","27","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","1","","Paul, Mathias; Breugst, Martin; Neudörfl, Jörg-Martin; Sunoj, Raghavan B.; Berkessel, Albrecht","Keto-Enol Thermodynamics of Breslow Intermediates.","Journal of the American Chemical Society","2016","138","15","5044","5051","10.1021/jacs.5b13236","","","0.71073","MoKα","","0.0816","0.0565","","","0.1349","0.1624","","","","","","1.108","","","","has coordinates","240640","2020-10-21","18:00:00",""
"4130049","8.5877","0.001","12.6416","0.0014","14.4046","0.0016","109.408","0.003","101.699","0.003","100.565","0.003","1390.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 N O3 -","- C39 H27 N O3 -","- C78 H54 N2 O6 -","2","1","","Mondal, Bijnaneswar; Acharyya, Koushik; Howlader, Prodip; Mukherjee, Partha Sarathi","Molecular Cage Impregnated Palladium Nanoparticles: Efficient, Additive-Free Heterogeneous Catalysts for Cyanation of Aryl Halides.","Journal of the American Chemical Society","2016","138","5","1709","1716","10.1021/jacs.5b13307","","","0.71073","MoKα","","0.07","0.0421","","","0.1096","0.1222","","","","","","0.871","","","","has coordinates","240641","2020-10-21","18:00:00",""
"4130050","46.0575","0.0006","20.9442","0.0003","14.1001","0.0003","90","","90","","90","","13601.5","0.4","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C65 H38 Cu4 N12 O20 -","- C65 H38 Cu4 N12 O20 -","- C260 H152 Cu16 N48 O80 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Lim, Jie Sheng; Zou, Ruqiang; Zhao, Yanli","A Triazole-Containing Metal-Organic Framework as a Highly Effective and Substrate Size-Dependent Catalyst for CO2 Conversion.","Journal of the American Chemical Society","2016","138","7","2142","2145","10.1021/jacs.5b13335","","","1.54178","CuKα","","0.0381","0.0314","","","0.077","0.0797","","","","","","1.021","","","","has coordinates","240642","2020-10-21","18:00:00",""
"4130051","5.8781","0.0003","10.3144","0.0006","21.1393","0.0012","90","","94.3996","0.0011","90","","1277.88","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 Br N Si -","- C28 H28 Br N Si -","- C56 H56 Br2 N2 Si2 -","2","1","","Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron","Catalytic Enantioselective Synthesis of Amino Skipped Diynes.","Journal of the American Chemical Society","2016","138","7","2150","2153","10.1021/jacs.5b13387","","","0.71073","MoKα","","0.0193","0.0182","","","0.0513","0.0575","","","","","","1.121","","","","has coordinates","240643","2020-10-21","18:00:00",""
"4130052","10.473","0.009","22.252","0.019","7.486","0.006","90","","90","","90","","1745","3","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H18 Cl2 Fe N2 -","- C17 H18 Cl2 Fe N2 -","- C68 H72 Cl8 Fe4 N8 -","4","1","","Thacker, Nathan C.; Lin, Zekai; Zhang, Teng; Gilhula, James C.; Abney, Carter W.; Lin, Wenbin","Robust and Porous β-Diketiminate-Functionalized Metal-Organic Frameworks for Earth-Abundant-Metal-Catalyzed C-H Amination and Hydrogenation.","Journal of the American Chemical Society","2016","138","10","3501","3509","10.1021/jacs.5b13394","","","0.41328","synchrotronradiation","","0.1104","0.0551","","","0.1016","0.1159","","","","","","1.016","","","","has coordinates,has disorder","240644","2020-10-21","18:00:00",""
"4130053","10.305","0.002","22.491","0.004","7.4571","0.0015","90","","90","","90","","1728.3","0.6","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H18 Cl2 Co N2 -","- C17 H18 Cl2 Co N2 -","- C68 H72 Cl8 Co4 N8 -","4","1","","Thacker, Nathan C.; Lin, Zekai; Zhang, Teng; Gilhula, James C.; Abney, Carter W.; Lin, Wenbin","Robust and Porous β-Diketiminate-Functionalized Metal-Organic Frameworks for Earth-Abundant-Metal-Catalyzed C-H Amination and Hydrogenation.","Journal of the American Chemical Society","2016","138","10","3501","3509","10.1021/jacs.5b13394","","","0.41328","synchrotronradiation","","0.0806","0.0516","","","0.1033","0.1135","","","","","","1.028","","","","has coordinates","240645","2020-10-21","18:00:00",""
"4130054","22.0354","0.0003","22.0354","0.0003","22.0354","0.0003","90","","90","","90","","10699.5","0.3","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 Ga Mg2 N3 O16 -","- C24 H9 Ga0.99 Mg2.01 N3 O16 -","- C192 H72 Ga7.92 Mg16.08 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0703","0.0512","","","0.1161","0.1228","","","","","","1.014","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130055","22.2973","0.0004","22.2973","0.0004","22.2973","0.0004","90","","90","","90","","11085.5","0.3","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 Co2 In N3 O16 -","- C24 H9 Co2.01 In0.99 N3 O16 -","- C192 H72 Co16.08 In7.92 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0256","0.0242","","","0.068","0.0685","","","","","","1.037","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130056","22.3051","0.0005","22.3051","0.0005","22.3051","0.0005","90","","90","","90","","11097.2","0.4","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 In Mg2 N3 O16 -","- C24 H9 In0.99 Mg2.01 N3 O16 -","- C192 H72 In7.92 Mg16.08 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0418","0.0359","","","0.0877","0.0895","","","","","","1.084","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130057","22.4704","0.0002","22.4704","0.0002","22.4704","0.0002","90","","90","","90","","11345.7","0.17","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 In Mn2 N3 O16 -","- C24 H9 In0.99 Mn2.01 N3 O16 -","- C192 H72 In7.92 Mn16.08 N24 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0336","0.0306","","","0.0809","0.082","","","","","","1.09","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130058","22.1152","0.0001","22.1152","0.0001","22.1152","0.0001","90","","90","","90","","10816.2","0.08","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 In N3 Ni2 O16 -","- C24 H9 In0.99 N3 Ni2.01 O16 -","- C192 H72 In7.92 N24 Ni16.08 O128 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0383","0.0366","","","0.1033","0.104","","","","","","1.06","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130059","21.9692","0.0007","21.9692","0.0007","21.9692","0.0007","90","","90","","90","","10603.3","0.6","296","2","296","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H16 Mg2 N3 O16 V -","- C24 H9 Mg2.01 N3 O16 V0.99 -","- C192 H72 Mg16.08 N24 O128 V7.92 -","8","0.333333","","Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun","Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","8","2524","2527","10.1021/jacs.5b13491","","","0.71073","MoKα","","0.0463","0.0411","","","0.0989","0.101","","","","","","1.075","","","","has coordinates","240646","2020-10-21","18:00:00",""
"4130060","21.2783","0.0016","6.1728","0.0004","18.1174","0.0013","90","","116.907","0.009","90","","2122","0.3","103.2","","103.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C100 H108 N4 O8 -","4","1","","Wu, Jicheng; Zhao, Changgui; Wang, Jian","Enantioselective Intermolecular Enamide-Aldehyde Cross-Coupling Catalyzed by Chiral N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2016","138","14","4706","4709","10.1021/jacs.5b13501","","","1.5418","CuKα","","0.0476","0.0427","","","0.1077","0.1126","","","","","","1.032","","","","has coordinates","240647","2020-10-21","18:00:00",""
"4130061","16.3695","0.0003","32.1947","0.0006","25.1628","0.0005","90","","95.3565","0.0007","90","","13203.2","0.4","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C138 H149 Cl2 N2 O12 Rh2 -","- C138 H149 Cl2 N2 O12 Rh2 -","- C552 H596 Cl8 N8 O48 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.0747","0.0543","","","0.1484","0.1603","","","","","","1.027","","","","has coordinates","240648","2020-10-21","18:00:00",""
"4130062","27.186","0.0005","27.8325","0.0005","33.4902","0.0006","99.9773","0.0007","105.885","0.0007","117.467","0.0007","20250","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C122 H118 N2 O8 Rh2 -","- C122 H115.667 N2 O8 Rh2 -","- C732 H694 N12 O48 Rh12 -","6","3","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","","0.0732","","","","0.2144","","","","","","0.974","","","","has coordinates","240649","2020-10-21","18:00:00",""
"4130063","39.8848","0.0008","17.5558","0.0003","39.2586","0.0007","90","","118.601","0.0007","90","","24134.9","0.8","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H114 N2 O8 Rh2 -","- C120 H114 N2 O8 Rh2 -","- C960 H912 N16 O64 Rh16 -","8","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.0935","0.0584","","","0.1595","0.192","","","","","","1.058","","","","has coordinates","240650","2020-10-21","18:00:00",""
"4130064","20.7033","0.0006","20.7033","0.0006","43.9483","0.0013","90","","90","","90","","18837.4","1","93","","93","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C116 H120 O10 Rh2 -","- C116 H120 O10 Rh2 -","- C928 H960 O80 Rh16 -","8","0.5","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","","0.0508","","","","0.1465","","","","","","1.071","","","","has coordinates","240651","2020-10-21","18:00:00",""
"4130065","17.3805","0.0005","25.1289","0.0007","25.2907","0.0008","90","","98.602","0.0008","90","","10921.5","0.6","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C127 H137 Cl3 N4 O9 Rh2 -","- C127 H131 Cl3 N4 O9 Rh2 -","- C508 H524 Cl12 N16 O36 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","","0.0869","","","","0.2291","","","","","","1.022","","","","has coordinates","240652","2020-10-21","18:00:00",""
"4130066","18.3091","0.0005","21.6571","0.0004","27.5325","0.0006","90","","90","","90","","10917.2","0.4","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C126 H130 N2 O10 Rh2 -","- C126 H130 N2 O10 Rh2 -","- C504 H520 N8 O40 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.1388","0.0735","","","0.1442","0.1808","","","","","","1.059","","","","has coordinates","240653","2020-10-21","18:00:00",""
"4130067","13.1263","0.0011","12.6361","0.001","19.5781","0.0012","90","","100.158","0.003","90","","3196.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Mn N O3 P2 -","- C32 H50 Mn N O3 P2 -","- C128 H200 Mn4 N4 O12 P8 -","4","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.062","0.0443","","","0.0932","0.1007","","","","","","1.032","","","","has coordinates","240654","2020-10-21","18:00:00",""
"4130068","8.6891","0.0017","10.049","0.002","18.36","0.004","91.73","0.03","92.06","0.03","103.07","0.03","1559.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Mn N O3 P2 -","- C32 H48 Mn N O3 P2 -","- C64 H96 Mn2 N2 O6 P4 -","2","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.0899","0.076","","","0.1715","0.1764","","","","","","1.228","","","","has coordinates","240654","2020-10-21","18:00:00",""
"4130069","11.819","0.002","14.961","0.003","15.364","0.003","90","","90","","90","","2716.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H44 Mn N O2 P2 -","- C25 H44 Mn N O2 P2 -","- C100 H176 Mn4 N4 O8 P8 -","4","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.07","0.0552","","","0.1281","0.1354","","","","","","1.022","","","","has coordinates,has disorder","240654","2020-10-21","18:00:00",""
"4130070","8.8088","0.0005","9.7607","0.0005","13.1099","0.0008","88.133","0.004","78.48","0.005","84.582","0.004","1099.44","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","GTA Monomer","","- C22 H21 Cl N6 O3 -","- C22 H21 Cl N6 O3 -","- C44 H42 Cl2 N12 O6 -","2","1","","Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul","Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs).","Journal of the American Chemical Society","2016","138","8","2823","2828","10.1021/jacs.5b13533","","x-ray","0.71073","MoKα","","0.0897","0.0592","","","0.1408","0.1631","","","","","","1.073","","","","has coordinates","240656","2020-10-21","18:00:00",""
"4130071","7.7196","0.0005","7.7196","0.0005","6.2784","0.0006","90","","90","","120","","324.02","0.04","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","","GT-Br","","- C H6 Br N6 -","- C H6 Br N6 -","- C2 H12 Br2 N12 -","2","0.166667","","Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul","Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs).","Journal of the American Chemical Society","2016","138","8","2823","2828","10.1021/jacs.5b13533","","x-ray","0.71073","MoKα","","0.0607","0.0506","","","0.124","0.1369","","","","","","1.087","","","","has coordinates","240657","2020-10-21","18:00:00",""
"4130072","11.8285","0.0019","11.8866","0.0019","22.494","0.004","90","","90","","90","","3162.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 B N4 O0.58 P -","- C34 H50 B N4 O0.582 P -","- C136 H200 B4 N16 O2.328 P4 -","4","1","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0707","0.0465","","","0.0903","0.1004","","","","","","1.013","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130073","9.063","0.006","12.103","0.008","18.177","0.011","101.964","0.008","92.065","0.007","108.926","0.006","1834","2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H58 B D3 N4 P -","- C34 H58 B N4 P -","- C68 H116 B2 N8 P2 -","2","1","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0845","0.0586","","","0.1475","0.165","","","","","","1.036","","","","has coordinates","240658","2020-10-21","18:00:00",""
"4130074","11.0056","0.001","11.0056","0.001","15.0573","0.0019","90","","90","","120","","1579.4","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H50 B N4 P -","- C33 H50 B N4 P -","- C66 H100 B2 N8 P2 -","2","0.333333","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0515","0.0432","","","0.114","0.1205","","","","","","1.08","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130075","14.2996","0.0009","14.2996","0.0009","14.2996","0.0009","90","","90","","90","","2924","0.3","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C26.45 H57.09 B N4 O0.86 P -","- C22.9992 H50.9986 B0.9999 N4 P -","- C91.9968 H203.994 B3.9996 N16 P4 -","4","0.333333","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0496","0.0428","","","0.1142","0.1209","","","","","","1.054","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130076","10.6056","0.0007","11.5564","0.0008","15.585","0.001","82.8305","0.001","83.6334","0.001","83.687","0.001","1874.5","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 O5 W -","- C42 H50 O5 W -","- C84 H100 O10 W2 -","2","1","","Gonsales, Stella A.; Kubo, Tomohiro; Flint, Madison K.; Abboud, Khalil A.; Sumerlin, Brent S.; Veige, Adam S.","Highly Tactic Cyclic Polynorbornene: Stereoselective Ring Expansion Metathesis Polymerization of Norbornene Catalyzed by a New Tethered Tungsten-Alkylidene Catalyst.","Journal of the American Chemical Society","2016","138","15","4996","4999","10.1021/jacs.6b00014","","","0.71073","MoKα","","0.0208","0.02","","","0.0518","0.0523","","","","","","1.09","","","","has coordinates,has disorder","240659","2020-10-21","18:00:00",""
"4130077","15.3264","0.0005","18.753","0.0006","18.9589","0.0006","90","","103.362","0.0006","90","","5301.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H72 O6 W2 -","- C62 H72 O6 W2 -","- C248 H288 O24 W8 -","4","1","","Gonsales, Stella A.; Kubo, Tomohiro; Flint, Madison K.; Abboud, Khalil A.; Sumerlin, Brent S.; Veige, Adam S.","Highly Tactic Cyclic Polynorbornene: Stereoselective Ring Expansion Metathesis Polymerization of Norbornene Catalyzed by a New Tethered Tungsten-Alkylidene Catalyst.","Journal of the American Chemical Society","2016","138","15","4996","4999","10.1021/jacs.6b00014","","","0.71073","MoKα","","0.0506","0.0287","","","0.0531","0.0573","","","","","","0.925","","","","has coordinates","240660","2020-10-21","18:00:00",""
"4130078","28.4649","0.0017","28.4649","0.0017","17.3837","0.0011","90","","90","","90","","14085.2","1.5","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C19 H23 N3 Ni -","- C19 H23 N3 Ni -","- C608 H736 N96 Ni32 -","32","2","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.1147","0.0931","","","0.3106","0.3314","","","","","","1.6","","","","has coordinates,has disorder","240661","2020-10-21","18:00:00",""
"4130079","17.2307","0.001","12.1517","0.0006","14.5044","0.0008","90","","104.451","0.001","90","","2940.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 Ni O2 -","- C16 H18 N2 Ni O2 -","- C128 H144 N16 Ni8 O16 -","8","2","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0387","0.0317","","","0.0768","0.0804","","","","","","1.046","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130080","8.765","0.001","11.0263","0.0012","11.2797","0.0012","94.9041","0.0019","104.468","0.0016","93.8012","0.0018","1047.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 Ni O2 -","- C26 H22 N2 Ni O2 -","- C52 H44 N4 Ni2 O4 -","2","1","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0472","0.0318","","","0.063","0.0683","","","","","","1.03","","","","has coordinates,has disorder","240661","2020-10-21","18:00:00",""
"4130081","17.304","0.002","11.1832","0.0015","18.209","0.003","90","","114.263","0.002","90","","3212.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 N3 Ni -","- C39 H41 N3 Ni -","- C156 H164 N12 Ni4 -","4","1","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0941","0.0525","","","0.1173","0.1394","","","","","","1.029","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130082","12.3392","0.0014","15.9041","0.0018","14.8784","0.0017","90","","103.314","0.0016","90","","2841.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N4 Ni -","- C34 H36 N4 Ni -","- C136 H144 N16 Ni4 -","4","1","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0604","0.0503","","","0.1438","0.1521","","","","","","1.044","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130083","10.695","0.003","15.081","0.004","33.05","0.008","90","","99.27","0.003","90","","5261","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N6 Ni -","- C32 H30 N6 Ni -","- C256 H240 N48 Ni8 -","8","2","","Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning","Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.","Journal of the American Chemical Society","2016","138","14","4779","4786","10.1021/jacs.6b00016","","","0.71073","MoKα","","0.0997","0.0736","","","0.1854","0.1994","","","","","","1.041","","","","has coordinates","240661","2020-10-21","18:00:00",""
"4130084","15.382","0.004","7.1655","0.0018","21.607","0.006","90","","90.107","0.003","90","","2381.5","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 Al N2 -","- C25 H35 Al N2 -","- C100 H140 Al4 N8 -","4","0.5","","Yang, Zhi; Zhong, Mingdong; Ma, Xiaoli; Nijesh, Karikkeeriyil; De, Susmita; Parameswaran, Pattiyil; Roesky, Herbert W.","An Aluminum Dihydride Working as a Catalyst in Hydroboration and Dehydrocoupling.","Journal of the American Chemical Society","2016","138","8","2548","2551","10.1021/jacs.6b00032","","","0.71073","MoKα","","0.0659","0.0563","","","0.1494","0.1597","","","","","","1.002","","","","has coordinates,has disorder","240662","2020-10-21","18:00:00",""
"4130085","8.8093","0.0014","18.443","0.002","31.202","0.005","90","","90","","90","","5069.4","1.3","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H28 N4 O4 -","- C27 H28 N4 O4 -","- C216 H224 N32 O32 -","8","1","","Dai, Jianxin; Wang, Minyan; Chai, Guobi; Fu, Chunling; Ma, Shengming","A Practical Solution to Stereodefined Tetrasubstituted Olefins.","Journal of the American Chemical Society","2016","138","8","2532","2535","10.1021/jacs.6b00051","","","0.71073","MoKα","","0.1528","0.0952","","","0.2182","0.2569","","","","","","1.04","","","","has coordinates","240663","2020-10-21","18:00:00",""
"4130086","18.0565","0.0014","9.8443","0.0008","13.4192","0.001","90","","128.544","0.001","90","","1865.6","0.3","145","2","145","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 F4 N4 O2 Zn -","- C14 H26 F4 N4 O2 Zn -","- C56 H104 F16 N16 O8 Zn4 -","4","0.5","","Xu, Long; Vicic, David A.","Direct Difluoromethylation of Aryl Halides via Base Metal Catalysis at Room Temperature.","Journal of the American Chemical Society","2016","138","8","2536","2539","10.1021/jacs.6b00053","","","0.71073","MoKα","","0.055","0.0519","","","0.1396","0.1427","","","","","","1.11","","","","has coordinates","240664","2020-10-21","18:00:00",""
"4130087","8.3717","0.0006","18.9906","0.0013","12.6955","0.0009","90","","101.361","0.002","90","","1978.8","0.2","145","2","145","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 F2 N2 Ni -","- C20 H26 F4 N2 Ni -","- C80 H104 F16 N8 Ni4 -","4","1","","Xu, Long; Vicic, David A.","Direct Difluoromethylation of Aryl Halides via Base Metal Catalysis at Room Temperature.","Journal of the American Chemical Society","2016","138","8","2536","2539","10.1021/jacs.6b00053","","","0.71073","MoKα","","0.0448","0.032","","","0.0759","0.0878","","","","","","1.156","","","","has coordinates","240664","2020-10-21","18:00:00",""
"4130088","19.681","0.008","11.242","0.004","24.5359","0.001","90","","90.623","0.006","90","","5428","3","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Si5 -","- C58 H84 Si5 -","- C232 H336 Si20 -","4","0.5","","Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko","Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.","Journal of the American Chemical Society","2016","138","11","3635","3638","10.1021/jacs.6b00082","","","0.71075","MoKα","","0.0654","0.0578","","","0.1245","0.1285","","","","","","1.119","","","","has coordinates","240665","2020-10-21","18:00:00",""
"4130089","8.4888","0.0016","14.564","0.003","17.222","0.003","90","","95.98","0.003","90","","2117.6","0.7","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Si -","- C26 H28 Si -","- C104 H112 Si4 -","4","1","","Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko","Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.","Journal of the American Chemical Society","2016","138","11","3635","3638","10.1021/jacs.6b00082","","","0.71075","MoKα","","0.0413","0.0401","","","0.0963","0.0977","","","","","","1.071","","","","has coordinates","240666","2020-10-21","18:00:00",""
"4130090","20.217","0.006","10.913","0.003","17.757","0.005","90","","102.872","0.004","90","","3819.2","1.9","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Si3 -","- C42 H56 Si3 -","- C168 H224 Si12 -","4","0.5","","Shintani, Ryo; Iino, Ryo; Nozaki, Kyoko","Rhodium-Catalyzed Stitching Reaction: Convergent Synthesis of Quinoidal Fused Oligosiloles.","Journal of the American Chemical Society","2016","138","11","3635","3638","10.1021/jacs.6b00082","","","0.71075","MoKα","","0.0654","0.057","","","0.1228","0.1283","","","","","","1.108","","","","has coordinates","240667","2020-10-21","18:00:00",""
"4130091","5.0912","0.0003","8.9533","0.0005","23.0489","0.0012","90","","94.2965","0.0018","90","","1047.69","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 F3 N O3 -","- C10 H10 F3 N O3 -","- C40 H40 F12 N4 O12 -","4","1","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0576","0.0547","","","0.1225","0.1237","","","","","","1.179","","","","has coordinates","240668","2020-10-21","18:00:00",""
"4130092","24.3659","0.0011","10.1608","0.0005","7.6406","0.0003","90","","90","","90","","1891.64","0.15","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H8 F3 N O2 -","- C9 H8 F3 N O2 -","- C72 H64 F24 N8 O16 -","8","1","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0477","0.0476","","","0.1069","0.1071","","","","","","1.184","","","","has coordinates","240668","2020-10-21","18:00:00",""
"4130093","9.1636","0.0004","11.8078","0.0005","25.3656","0.001","95.096","0.002","100.04","0.002","90.1","0.002","2691.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 N2 O8 S2 -","- C24 H18 F6 N2 O8 S2 -","- C96 H72 F24 N8 O32 S8 -","4","2","","Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S.","Mechanogeneration of Acid from Oxime Sulfonates.","Journal of the American Chemical Society","2016","138","8","2540","2543","10.1021/jacs.6b00097","","","1.54178","CuKα","","0.0903","0.0713","","","0.1721","0.1836","","","","","","1.06","","","","has coordinates,has disorder","240668","2020-10-21","18:00:00",""
"4130094","9.8252","0.0001","9.8252","0.0001","34.0247","0.0006","90","","90","","120","","2844.51","0.06","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H22 F5 N O3 -","- C18 H22 F5 N O3 -","- C108 H132 F30 N6 O18 -","6","1","","Mahender Reddy, Karla; Bhimireddy, Eswar; Thirupathi, Barla; Breitler, Simon; Yu, Shunming; Corey, E. J.","Cationic Chiral Fluorinated Oxazaborolidines. More Potent, Second-Generation Catalysts for Highly Enantioselective Cycloaddition Reactions.","Journal of the American Chemical Society","2016","138","7","2443","2453","10.1021/jacs.6b00100","","","1.54178","CuKα","","0.0248","0.0234","","","0.0561","0.0567","","","","","","1.079","","","","has coordinates","240669","2020-10-21","18:00:00",""
"4130095","8.4957","0.0007","13.2816","0.001","14.4218","0.0011","90","","90","","90","","1627.3","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Fe N2 O -","- C19 H22 Fe N2 O -","- C76 H88 Fe4 N8 O4 -","4","1","","Gao, De-Wei; Gu, Qing; You, Shu-Li","An Enantioselective Oxidative C-H/C-H Cross-Coupling Reaction: Highly Efficient Method To Prepare Planar Chiral Ferrocenes.","Journal of the American Chemical Society","2016","138","8","2544","2547","10.1021/jacs.6b00127","","","0.71073","MoKα","","0.0311","0.0269","","","0.0629","0.0646","","","","","","0.999","","","","has coordinates","240670","2020-10-21","18:00:00",""
"4130096","6.883","0.004","10.729","0.006","27.388","0.015","90","","95.788","0.01","90","","2012","2","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl Fe N S -","- C23 H22 Cl Fe N S -","- C92 H88 Cl4 Fe4 N4 S4 -","4","2","","Gao, De-Wei; Gu, Qing; You, Shu-Li","An Enantioselective Oxidative C-H/C-H Cross-Coupling Reaction: Highly Efficient Method To Prepare Planar Chiral Ferrocenes.","Journal of the American Chemical Society","2016","138","8","2544","2547","10.1021/jacs.6b00127","","","0.71073","MoKα","","0.0462","0.0396","","","0.0927","0.0954","","","","","","1.147","","","","has coordinates","240671","2020-10-21","18:00:00",""
"4130097","9.3232","0.0004","9.8579","0.0005","43.235","0.002","90","","90","","90","","3973.6","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 B2 F8 N6 -","- C36 H56 B2 F8 N6 -","- C144 H224 B8 F32 N24 -","4","1","","Dong, Shunxi; Frings, Marcus; Cheng, Hanchao; Wen, Jian; Zhang, Duo; Raabe, Gerhard; Bolm, Carsten","Organocatalytic Kinetic Resolution of Sulfoximines.","Journal of the American Chemical Society","2016","138","7","2166","2169","10.1021/jacs.6b00143","","","1.54178","CuKα","","0.044","0.044","","0.053","","0.053","","","1.004","","","1.007","","","","has coordinates","240672","2020-10-21","18:00:00",""
"4130098","11.527","0.002","11.527","0.002","9.5824","0.0019","90","","90","","90","","1273.2","0.4","100","2","100","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C23 H44 Ir N P2 -","- C23 H44 Ir N P2 -","- C46 H88 Ir2 N2 P4 -","2","0.25","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0279","0.0231","","","0.0447","0.0458","","","","","","1.258","","","","has coordinates,has disorder","240674","2020-10-21","18:00:00",""
"4130099","12.2328","0.0003","15.8577","0.0004","16.0723","0.0004","90","","90","","90","","3117.77","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 Ir N O5 P2 -","- C28 H50 Ir N O5 P2 -","- C112 H200 Ir4 N4 O20 P8 -","4","1","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0296","0.0252","","","0.0478","0.0491","","","","","","0.949","","","","has coordinates","240674","2020-10-21","18:00:00",""
"4130100","16.6996","0.0004","15.2679","0.0003","16.3378","0.0004","90","","116.667","0.003","90","","3722.52","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl6 Ir N O4 P2 -","- C28 H50 Cl6 Ir N O4 P2 -","- C112 H200 Cl24 Ir4 N4 O16 P8 -","4","1","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0272","0.0233","","","0.0551","0.0563","","","","","","1.075","","","","has coordinates,has disorder","240674","2020-10-21","18:00:00",""
"4130101","37.2012","0.0009","37.2012","0.0009","37.2012","0.0009","90","","90","","90","","51484","2","100","","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C216 H96 Cl6 Fe27 N144 O24 -","- C216 H96 Cl6 Fe24 N144 O24 -","- C864 H384 Cl24 Fe96 N576 O96 -","4","0.0208333","","Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R.","Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","17","5594","5602","10.1021/jacs.6b00248","","","0.7749","synchrotron","","0.0439","0.0405","","","0.1272","0.1292","","","","","","1.077","","","","has coordinates","240675","2020-10-21","18:00:00",""
"4130102","38.068","0.0011","38.068","0.0011","38.068","0.0011","90","","90","","90","","55167","3","100","","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C264 H240 Cl6 Fe27 N168 O24 -","- C216 H120 Cl6 Fe24 N168 O24 -","- C864 H480 Cl24 Fe96 N672 O96 -","4","0.0208333","","Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R.","Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","17","5594","5602","10.1021/jacs.6b00248","","","0.7749","synchrotron","","0.0556","0.0505","","","0.1595","0.1651","","","","","","1.12","","","","has coordinates,has disorder","240676","2020-10-21","18:00:00",""
"4130103","10.29","0.004","12.272","0.004","12.856","0.004","81.821","0.014","80.193","0.014","69.109","0.012","1488.7","0.9","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H45 B N2 O -","- C33 H45 B N2 O -","- C66 H90 B2 N4 O2 -","2","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.7107","MoKα","","0.066","0.0531","","","0.1257","0.1342","","","","","","1.063","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130104","14.976","0.005","12.583","0.005","16.265","0.006","90","","91.2967","0.0018","90","","3064","2","103.15","","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B N2 O -","- C33 H45 B N2 O -","- C132 H180 B4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.7107","MoKα","","0.1102","0.0835","","","0.1506","0.1633","","","","","","1.227","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130105","20.296","0.016","20.622","0.014","17.131","0.013","90","","115.831","0.009","90","","6454","8","93.15","","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H96 B2 Li2 N4 O3 -","- C70 H96 B2 Li2 N4 O3 -","- C280 H384 B8 Li8 N16 O12 -","4","0.5","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1992","0.0998","","","0.2033","0.242","","","","","","1.02","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130106","20.625","0.012","20.977","0.01","17.1","0.009","90","","117.341","0.01","90","","6572","6","93.15","","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H96 B2 Li2 N4 O2 -","- C73 H96 B2 Li2 N4 O2 -","- C292 H384 B8 Li8 N16 O8 -","4","0.5","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1352","0.1003","","","0.2066","0.2287","","","","","","1.204","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130107","17.16","0.008","12.447","0.005","18.046","0.007","90","","116.401","0.007","90","","3452","3","93.15","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 B N2 O Si -","- C36 H53 B N2 O Si -","- C144 H212 B4 N8 O4 Si4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1141","0.0808","","","0.1584","0.1748","","","","","","1.138","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130108","9.434","0.005","9.442","0.005","18.382","0.009","83.43","0.02","76.38","0.02","77.01","0.02","1547.4","1.4","103.15","","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47 B N2 O -","- C34 H47 B N2 O -","- C68 H94 B2 N4 O2 -","2","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1889","0.1017","","","0.2251","0.2933","","","","","","1.106","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130109","15.408","0.003","11.14","0.002","18.912","0.004","90","","93.473","0.005","90","","3240.2","1.1","93.15","","93","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C36 H49 B N2 O -","- C36 H49 B N2 O -","- C144 H196 B4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.171","0.0954","","","0.2129","0.2619","","","","","","1.095","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130110","10.399","0.002","12.57","0.002","12.868","0.003","80.845","0.012","78.888","0.01","66.991","0.008","1512.7","0.5","93.15","","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 B F N2 O -","- C33 H44 B F N2 O -","- C66 H88 B2 F2 N4 O2 -","2","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.0969","0.0562","","","0.1233","0.1447","","","","","","0.927","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130111","12.153","0.003","13.653","0.003","18.121","0.004","90","","90","","90","","3006.7","1.2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 B F N2 O -","- C33 H42 B F N2 O -","- C132 H168 B4 F4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.0586","0.0507","","","0.1186","0.1255","","","","","","1.034","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130112","12.868","0.007","13.76","0.008","18.432","0.01","101.98","0.006","101.462","0.01","101.586","0.008","3027","3","93.15","","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 B F N2 O -","- C33 H44 B F N2 O -","- C132 H176 B4 F4 N8 O4 -","4","2","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1556","0.0973","","","0.2086","0.2519","","","","","","1.072","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130113","11.941","0.005","13.3","0.005","18.914","0.008","90","","90","","90","","3004","2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 B F N2 O -","- C33 H42 B F N2 O -","- C132 H168 B4 F4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1074","0.0796","","","0.17","0.1899","","","","","","1.076","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130114","9.766","0.002","9.648","0.002","14.138","0.003","90","","110","0.02","90","","1251.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Cl2 Mg2 N2 O2 -","- C20 H44 Cl2 Mg2 N2 O2 -","- C40 H88 Cl4 Mg4 N4 O4 -","2","0.5","","Neufeld, Roman; Teuteberg, Thorsten L.; Herbst-Irmer, Regine; Mata, Ricardo A.; Stalke, Dietmar","Solution Structures of Hauser Base (i)Pr2NMgCl and Turbo-Hauser Base (i)Pr2NMgCl·LiCl in THF and the Influence of LiCl on the Schlenk-Equilibrium.","Journal of the American Chemical Society","2016","138","14","4796","4806","10.1021/jacs.6b00345","","","0.71073","MoKα","","0.0366","0.03","","","0.0752","0.0796","","","","","","1.067","","","","has coordinates,has disorder","240678","2020-10-21","18:00:00",""
"4130115","8.1845","0.0008","10.3787","0.001","11.7173","0.0012","116.156","0.003","99.215","0.003","95.524","0.003","866.09","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Feng, Jian-Jun; Lin, Tao-Yan; Zhu, Chao-Ze; Wang, Huamin; Wu, Hai-Hong; Zhang, Junliang","The Divergent Synthesis of Nitrogen Heterocycles by Rhodium(I)-Catalyzed Intermolecular Cycloadditions of Vinyl Aziridines and Alkynes.","Journal of the American Chemical Society","2016","138","7","2178","2181","10.1021/jacs.6b00386","","","0.71073","MoKα","","0.0693","0.046","","","0.1079","0.1234","","","","","","1.024","","","","has coordinates","240679","2020-10-21","18:00:00",""
"4130116","12.0001","0.0012","7.6608","0.0012","12.186","0.002","90","","114.84","0.004","90","","1016.6","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C48 H46 N2 O4 S2 -","2","1","","Feng, Jian-Jun; Lin, Tao-Yan; Zhu, Chao-Ze; Wang, Huamin; Wu, Hai-Hong; Zhang, Junliang","The Divergent Synthesis of Nitrogen Heterocycles by Rhodium(I)-Catalyzed Intermolecular Cycloadditions of Vinyl Aziridines and Alkynes.","Journal of the American Chemical Society","2016","138","7","2178","2181","10.1021/jacs.6b00386","","","0.71073","MoKα","","0.0461","0.0354","","","0.0783","0.0839","","","","","","1.029","","","","has coordinates","240680","2020-10-21","18:00:00",""
"4130117","10.9584","0.0005","11.099","0.0005","15.2278","0.0007","75.3898","0.0016","76.1879","0.0016","70.6752","0.0015","1666.62","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H35 Cl2 I3 -","- C34 H35 Cl2 I3 -","- C68 H70 Cl4 I6 -","2","1","","Lee, Semin; Yang, Anna; Moneypenny, 2nd, Timothy P; Moore, Jeffrey S.","Kinetically Trapped Tetrahedral Cages via Alkyne Metathesis.","Journal of the American Chemical Society","2016","138","7","2182","2185","10.1021/jacs.6b00468","","","0.71073","MoKα","","0.0198","0.0177","","","0.0393","0.0402","","","","","","1.119","","","","has coordinates,has disorder","240681","2020-10-21","18:00:00",""
"4130118","18.9935","0.0005","18.9935","0.0005","50.612","0.003","90","","90","","90","","18258.4","1.3","200","2","200","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C148 H136 Cl12 -","- C148 H136 Cl12 -","- C592 H544 Cl48 -","4","0.25","","Lee, Semin; Yang, Anna; Moneypenny, 2nd, Timothy P; Moore, Jeffrey S.","Kinetically Trapped Tetrahedral Cages via Alkyne Metathesis.","Journal of the American Chemical Society","2016","138","7","2182","2185","10.1021/jacs.6b00468","","","1.2399","synchrotron","","0.106","0.0881","","","0.2624","0.2817","","","","","","1.083","","","","has coordinates,has disorder","240682","2020-10-21","18:00:00",""
"4130119","14.283","0.005","14.834","0.005","16.192","0.005","90","0.005","90","0.005","90","0.005","3431","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 F2 Ni O4 P2 -","- C34 H44 F2 Ni O4 P2 -","- C136 H176 F8 Ni4 O16 P8 -","4","1","","Shevlin, Michael; Friedfeld, Max R.; Sheng, Huaming; Pierson, Nicholas A.; Hoyt, Jordan M.; Campeau, Louis-Charles; Chirik, Paul J.","Nickel-Catalyzed Asymmetric Alkene Hydrogenation of α,β-Unsaturated Esters: High-Throughput Experimentation-Enabled Reaction Discovery, Optimization, and Mechanistic Elucidation.","Journal of the American Chemical Society","2016","138","10","3562","3569","10.1021/jacs.6b00519","","","0.71073","MoKα","","0.0678","0.046","","","0.1101","0.1207","","","","","","1.034","","","","has coordinates","240683","2020-10-21","18:00:00",""
"4130120","12.5333","0.0003","7.8729","0.0002","16.2274","0.0004","90","","91.735","0.001","90","","1600.48","0.07","180.45","","180.45","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Mitra, Nirmal K.; Meudom, Rolande; Corzo, Hector H.; Gorden, John D.; Merner, Bradley L.","Overcoming Strain-Induced Rearrangement Reactions: A Mild Dehydrative Aromatization Protocol for Synthesis of Highly Distorted p-Phenylenes.","Journal of the American Chemical Society","2016","138","9","3235","3240","10.1021/jacs.6b00538","","","0.71073","MoKα","","0.0984","0.0682","","","0.156","0.1826","","","","","","1.0987","","","","has coordinates","240684","2020-10-21","18:00:00",""
"4130121","19.549","0.002","8.1172","0.0008","19.927","0.002","90","","90","","90","","3162.1","0.5","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","34","1,5-dioxa[5](3,3"")p-terphenylophane","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Mitra, Nirmal K.; Meudom, Rolande; Corzo, Hector H.; Gorden, John D.; Merner, Bradley L.","Overcoming Strain-Induced Rearrangement Reactions: A Mild Dehydrative Aromatization Protocol for Synthesis of Highly Distorted p-Phenylenes.","Journal of the American Chemical Society","2016","138","9","3235","3240","10.1021/jacs.6b00538","","","0.71073","MoKα","","0.0725","0.0602","","","0.107","0.112","","","","","","1.212","","","","has coordinates","240685","2020-10-21","18:00:00",""
"4130122","14.7663","0.0012","26.944","0.002","24.182","0.002","90","","101.593","0.003","90","","9424.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87.5 H119.5 N14 O21 Zn4 -","- C86 H116 N14 O21 Zn4 -","- C344 H464 N56 O84 Zn16 -","4","1","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","0.71073","MoKα","","0.0757","0.0544","","","0.0936","0.1","","","","","","1.084","","","","has coordinates","240686","2020-10-21","18:00:00",""
"4130123","4.9105","0.0019","10.503","0.004","24.057","0.01","85.058","0.01","88.604","0.008","88.473","0.011","1235.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N4 O5 -","- C26 H34 N4 O5 -","- C52 H68 N8 O10 -","2","1","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","0.71073","MoKα","","0.1119","0.0639","","","0.1339","0.1529","","","","","","1.079","","","","has coordinates","240687","2020-10-21","18:00:00",""
"4130124","18.156","0.003","9.0535","0.0012","25.803","0.004","90","","106.877","0.004","90","","4058.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H65 Cl N4 O5 -","- C39.04 H64.1 N4 O5 -","- C156.16 H256.4 N16 O20 -","4","1","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","0.71073","MoKα","","0.0602","0.0513","","","0.1266","0.1327","","","","","","1.009","","","","has coordinates,has disorder","240688","2020-10-21","18:00:00",""
"4130125","15.916","0.005","18.83","0.006","19.364","0.006","105.094","0.004","103.903","0.004","91.781","0.005","5412","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C209 H267 N33 O41 Zn8 -","- C209 H267 N33 O41 Zn8 -","- C209 H267 N33 O41 Zn8 -","1","0.5","","Zhang, Huacheng; Lee, Juhoon; Lammer, Aaron D.; Chi, Xiaodong; Brewster, James T.; Lynch, Vincent M.; Li, Hao; Zhang, Zhan; Sessler, Jonathan L.","Self-Assembled Pyridine-Dipyrrolate Cages.","Journal of the American Chemical Society","2016","138","13","4573","4579","10.1021/jacs.6b00564","","","1.54184","CuKα","","0.0428","0.0338","","","0.0831","0.088","","","","","","0.977","","","","has coordinates,has disorder","240689","2020-10-21","18:00:00",""
"4130126","18.3255","0.0006","9.8329","0.0003","21.8331","0.0007","90","","113.534","0.002","90","","3606.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 I N2 O7 -","- C38 H45 I N2 O7 -","- C152 H180 I4 N8 O28 -","4","1","","Cai, Lingchao; Zhang, Kui; Kwon, Ohyun","Catalytic Asymmetric Total Synthesis of (-)-Actinophyllic Acid.","Journal of the American Chemical Society","2016","138","10","3298","3301","10.1021/jacs.6b00567","","","1.54178","CuKα","","0.0555","0.0475","","","0.1262","0.1301","","","","","","1.096","","","","has coordinates","240690","2020-10-21","18:00:00",""
"4130127","9.1811","0.0002","11.1546","0.0002","11.7517","0.0002","94.3941","0.0008","97.2458","0.0008","92.0699","0.0008","1189.11","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C52 H60 N4 O14 -","2","1","","Cai, Lingchao; Zhang, Kui; Kwon, Ohyun","Catalytic Asymmetric Total Synthesis of (-)-Actinophyllic Acid.","Journal of the American Chemical Society","2016","138","10","3298","3301","10.1021/jacs.6b00567","","","1.54178","CuKα","","0.0392","0.0349","","","0.0845","0.0874","","","","","","1.04","","","","has coordinates","240691","2020-10-21","18:00:00",""
"4130128","10.28646","0.00011","13.11062","0.00016","18.6124","0.0002","90","","90","","90","","2510.1","0.05","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 O S -","- C17 H12 O S -","- C136 H96 O8 S8 -","8","2","","Kathayat, Rahul S.; Yang, Lijun; Sattasathuchana, Tosaporn; Zoppi, Laura; Baldridge, Kim K.; Linden, Anthony; Finney, Nathaniel S.","On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent Chemosensing.","Journal of the American Chemical Society","2016","138","49","15889","15895","10.1021/jacs.6b00572","","","0.71073","MoKα","","0.0346","0.0315","","","0.0804","0.0832","","","","","","1.036","","","","has coordinates","240692","2020-10-21","18:00:00",""
"4130129","14.1029","0.0002","10.42061","0.00015","16.6896","0.0002","90","","90","","90","","2452.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 O S -","- C17 H12 O S -","- C136 H96 O8 S8 -","8","1","","Kathayat, Rahul S.; Yang, Lijun; Sattasathuchana, Tosaporn; Zoppi, Laura; Baldridge, Kim K.; Linden, Anthony; Finney, Nathaniel S.","On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent Chemosensing.","Journal of the American Chemical Society","2016","138","49","15889","15895","10.1021/jacs.6b00572","","","0.71073","MoKα","","0.0431","0.0354","","","0.0952","0.1009","","","","","","1.042","","","","has coordinates","240692","2020-10-21","18:00:00",""
"4130130","12.6972","0.0006","12.3023","0.0004","15.4558","0.0008","90","","113.068","0.004","90","","2221.23","0.18","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F3 Fe N9 O4 S -","- C19 H20 F3 Fe N9 O4 S -","- C76 H80 F12 Fe4 N36 O16 S4 -","4","1","","Kupper, Claudia; Rees, Julian A.; Dechert, Sebastian; DeBeer, Serena; Meyer, Franc","Complete Series of {FeNO}(8), {FeNO}(7), and {FeNO}(6) Complexes Stabilized by a Tetracarbene Macrocycle.","Journal of the American Chemical Society","2016","138","25","7888","7898","10.1021/jacs.6b00584","","","0.71073","MoKα","","0.0468","0.0386","","","0.0988","0.1025","","","","","","1.047","","","","has coordinates","240693","2020-10-21","18:00:00",""
"4130131","10.1194","0.0009","11.5579","0.001","13.5781","0.0011","74.854","0.007","86.99","0.007","67.327","0.007","1412.4","0.2","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 F6 Fe N10 O9 S2 -","- C20 H20 F6 Fe N10 O9 S2 -","- C40 H40 F12 Fe2 N20 O18 S4 -","2","1","","Kupper, Claudia; Rees, Julian A.; Dechert, Sebastian; DeBeer, Serena; Meyer, Franc","Complete Series of {FeNO}(8), {FeNO}(7), and {FeNO}(6) Complexes Stabilized by a Tetracarbene Macrocycle.","Journal of the American Chemical Society","2016","138","25","7888","7898","10.1021/jacs.6b00584","","","0.71073","MoKα","","0.0973","0.0592","","","0.1007","0.1106","","","","","","1.056","","","","has coordinates","240693","2020-10-21","18:00:00",""
"4130132","29.896","0.0007","29.896","0.0007","29.896","0.0007","90","","90","","90","","26720.2","1.1","293","2","293","2","","","","","","","","4","F m -3","-F 2 2 3","202","","","","- C0 H0 O228 Ti84 -","- O228 Ti84 -","- O456 Ti168 -","2","0.0208333","","Gao, Mei-Yan; Wang, Fei; Gu, Zhi-Gang; Zhang, De-Xiang; Zhang, Lei; Zhang, Jian","Fullerene-like Polyoxotitanium Cage with High Solution Stability.","Journal of the American Chemical Society","2016","138","8","2556","2559","10.1021/jacs.6b00613","","","1.54178","CuKα","","0.1761","0.1244","","","0.3063","0.348","","","","","","0.909","","","","has coordinates","240694","2020-10-21","18:00:00",""
"4130133","7.8819","0.0008","12.8093","0.0013","14.6769","0.0015","90","","90","","90","","1481.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Liang, Xiao; Jiang, Shi-Zhi; Wei, Kun; Yang, Yu-Rong","Enantioselective Total Synthesis of (-)-Alstoscholarisine A.","Journal of the American Chemical Society","2016","138","8","2560","2562","10.1021/jacs.6b00625","","","0.71073","MoKα","","0.0402","0.035","","","0.0855","0.0884","","","","","","1.054","","","","has coordinates","240695","2020-10-21","18:00:00",""
"4130134","30.4471","0.0019","30.4471","0.0019","21.8623","0.0014","90","","90","","90","","20267","2","192","2","192","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C264 H236 Cl6 Co20 N8 O52 S16 -","- C264 H236 Cl6 Co20 N8 O52 S16 -","- C528 H472 Cl12 Co40 N16 O104 S32 -","2","0.125","","Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua","Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron.","Journal of the American Chemical Society","2016","138","9","2969","2972","10.1021/jacs.6b00695","","","0.71073","MoKα","","0.1101","0.0615","","","0.1864","0.2141","","","","","","1.064","","","","has coordinates,has disorder","240696","2020-10-21","18:00:00",""
"4130135","36.664","0.007","34.101","0.006","46.617","0.008","90","","92.414","0.002","90","","58233","18","296","2","296","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C626.14 H574.08 Cl6 N18.73 Ni40 O115.47 S40 -","- C626.146 H574.084 Cl6 N18.7282 Ni40 O115.477 S40 -","- C1252.29 H1148.17 Cl12 N37.4564 Ni80 O230.954 S80 -","2","0.5","","Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua","Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron.","Journal of the American Chemical Society","2016","138","9","2969","2972","10.1021/jacs.6b00695","","","0.71073","MoKα","","0.1141","0.0667","","","0.1938","0.2156","","","","","","1.063","","","","has coordinates,has disorder","240697","2020-10-21","18:00:00",""
"4130136","12.0773","0.0007","13.7901","0.0009","16.7455","0.0009","69.605","0.003","74.537","0.003","72.549","0.003","2452.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","119","","","- C54.4 H43.61 B F15 N3 O Re -","- C54.398 H43.612 B F15 N3 O Re -","- C108.796 H87.224 B2 F30 N6 O2 Re2 -","2","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.0356","0.0248","","","0.0464","0.0488","","","","","","1.018","","","","has coordinates,has disorder","240698","2020-10-21","18:00:00",""
"4130137","24.5115","0.0007","24.6966","0.0009","18.6378","0.0006","90","","90","","90","","11282.4","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","FLP2","","","- C31 H29 F5 N3 O Re -","- C31 H29 F5 N3 O Re -","- C496 H464 F80 N48 O16 Re16 -","16","2","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.0479","0.0293","","","0.0523","0.0572","","","","","","1.028","","","","has coordinates","240698","2020-10-21","18:00:00",""
"4130138","16.2377","0.0003","16.2377","0.0003","36.5045","0.0007","90","","90","","90","","9624.9","0.3","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C50 H37 B F15 N3 O Re -","- C46.5 H33 B F15 N3 O Re -","- C372 H264 B8 F120 N24 O8 Re8 -","8","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.","Journal of the American Chemical Society","2016","138","14","4832","4842","10.1021/jacs.6b00705","","","0.71073","MoKα","","0.033","0.0299","","","0.0683","0.0695","","","","","","1.103","","","","has coordinates,has disorder","240698","2020-10-21","18:00:00",""
"4130139","15.8657","0.0017","20.21","0.002","8.2946","0.0008","90","","102.559","0.004","90","","2596","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H17 F4 Ir N2 O4 -","- C33 H17 F4 Ir N2 O4 -","- C132 H68 F16 Ir4 N8 O16 -","4","1","","Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C.","Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.","Journal of the American Chemical Society","2016","138","11","3643","3646","10.1021/jacs.6b00715","","x-ray","0.71073","MoKα","","0.0964","0.0731","","","0.1817","0.2109","","","","","","1.083","","","","has coordinates","240699","2020-10-21","18:00:00",""
"4130140","14.2793","0.0004","16.5304","0.0005","23.6","0.0008","90","","90","","90","","5570.6","0.3","150","2","150","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C54 H28 Cl4 F8 Ir2 N4 O6 -","- C54 H28 Cl4 F8 Ir2 N4 O6 -","- C216 H112 Cl16 F32 Ir8 N16 O24 -","4","0.25","","Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C.","Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen.","Journal of the American Chemical Society","2016","138","11","3643","3646","10.1021/jacs.6b00715","","x-ray","0.71073","MoKα","","0.052","0.0406","","","0.0796","0.0842","","","","","","1.159","","","","has coordinates","240700","2020-10-21","18:00:00",""
"4130141","14.485","0.003","32.392","0.008","20.582","0.005","90","","103.16","0.004","90","","9403","4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H122 B2 N4 O14 -","- C108 H122 B2 N4 O14 -","- C432 H488 B8 N16 O56 -","4","0.5","","Suzuki, Yoshimasa; Nakamura, Taiki; Iida, Hiroki; Ousaka, Naoki; Yashima, Eiji","Allosteric Regulation of Unidirectional Spring-like Motion of Double-Stranded Helicates.","Journal of the American Chemical Society","2016","138","14","4852","4859","10.1021/jacs.6b00787","","","0.71075","MoKa","","0.217","0.1769","","","0.354","0.3775","","","","","","1.23","","","","has coordinates,has disorder","240701","2020-10-21","18:00:00",""
"4130142","16.291","0.002","15.03","0.002","24.604","0.004","90","","102.476","0.002","90","","5882.1","1.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H156 B2 N6 O12 -","- C122 H156 B2 N6 O12 -","- C244 H312 B4 N12 O24 -","2","1","","Suzuki, Yoshimasa; Nakamura, Taiki; Iida, Hiroki; Ousaka, Naoki; Yashima, Eiji","Allosteric Regulation of Unidirectional Spring-like Motion of Double-Stranded Helicates.","Journal of the American Chemical Society","2016","138","14","4852","4859","10.1021/jacs.6b00787","","","0.71075","MoKα","","0.1649","0.1161","","","0.2697","0.3025","","","","","","1.111","","","","has coordinates,has disorder","275202","2022-05-07","03:29:12",""
"4130143","10.2462","0.0004","21.4566","0.0009","22.8408","0.0009","90","","96.132","0.002","90","","4992.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu2(NCCH3)DPFN](PF6)2,2.5(C6H5NO2)","","","- C47 H35.5 Cu2 F14 N9.5 O5 P2 -","- C47.078 H35.565 Cu2 F14 N9.487 O4.974 P2 -","- C188.312 H142.26 Cu8 F56 N37.948 O19.896 P8 -","4","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0419","0.0355","","","0.0935","0.0981","","","","","","1.038","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130144","9.9438","0.0003","16.1553","0.0005","20.9439","0.0006","87.583","0.001","76.604","0.001","75.168","0.001","3163.41","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cu2(Ph)DPFN]BPh4,3(o-C6H4F2)","","","- C78 H57 B Cu2 F8 N6 -","- C78 H57 B Cu2 F8 N6 -","- C156 H114 B2 Cu4 F16 N12 -","2","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0468","0.0398","","","0.0982","0.103","","","","","","1.022","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130145","20.3441","0.001","21.4651","0.0011","20.4182","0.001","90","","112.805","0.002","90","","8219.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2((3,5-CF3)C6H3))DPFN]BArF24,3(o-C6H4F2)","","","- C88 H47 B Cu2 F38 N6 -","- C88 H47 B Cu2 F38 N6 -","- C352 H188 B4 Cu8 F152 N24 -","4","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","1.54178","CuKα","","0.0794","0.0644","","","0.1753","0.1907","","","","","","1.022","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130146","25.2803","0.0009","15.4022","0.0006","27.2625","0.001","90","","106.227","0.001","90","","10192.4","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[Cu2(NCCH3)DPFN](NTf2)2,n(o-C6H4Cl2)","","","- C43.39 H27.78 Cl1.77 Cu2 F14 N9 O8 S4 -","- C43.398 H27.778 Cl1.772 Cu2 F14 N9 O8 S4 -","- C347.184 H222.224 Cl14.176 Cu16 F112 N72 O64 S32 -","8","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0488","0.0428","","","0.1135","0.1174","","","","","","1.066","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130147","23.1071","0.0015","19.4719","0.0013","22.4403","0.0014","90","","91.37","0.003","90","","10093.9","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu2(Ph)DPFN](NTf2),2.5(C6H5F)","","","- C53 H37.5 Cu2 F10.5 N7 O4 S2 -","- C53 H37.5 Cu2 F10.5 N7 O4 S2 -","- C424 H300 Cu16 F84 N56 O32 S16 -","8","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0429","0.0356","","","0.0874","0.0929","","","","","","1.046","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130148","12.678","0.0004","15.1192","0.0005","16.6712","0.0006","66.681","0.001","74.49","0.001","71.718","0.001","2748.56","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu2(Ph)DPFN](NTf2)2,n(o-C6H4F2)","","","- C40 H25 Cu2 F14 N8 O8 S4 -","- C40 H25 Cu2 F14 N8 O8 S4 -","- C80 H50 Cu4 F28 N16 O16 S8 -","2","1","","Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don","Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.","Journal of the American Chemical Society","2016","138","20","6484","6491","10.1021/jacs.6b00802","","","0.71073","MoKα","","0.0649","0.0527","","","0.1324","0.1407","","","","","","1.053","","","","has coordinates,has disorder","240703","2020-10-21","18:00:00",""
"4130149","8.3517","0.0001","14.6007","0.0002","18.7457","0.0002","90","","90","","90","","2285.86","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4,4-dimethyl-3-oxo-1-(perfluorophenyl)-1,2-diphenyl-1,2,3,4- tetrahydrobenzo[c][1,5,2]diazaborinin-4-ium-1-uide","","- C27 H20 B F5 N2 O -","- C27 H20 B F5 N2 O -","- C108 H80 B4 F20 N8 O4 -","4","1","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","1.54178","CuKα","","0.0389","0.037","","","0.0983","0.1001","","","","","","1.041","","","","has coordinates","240704","2020-10-21","18:00:00",""
"4130150","13.185","0.001","9.417","0.001","26.849","0.002","90","","93.44","0.01","90","","3327.6","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2'-(thiophene-2,5-diylbis((perfluorophenyl)boranediyl))- bis(N,N-dimethylaniline)","","- C35 H29 B2 F10 N2 S -","- C35 H29 B2 F10 N2 S -","- C140 H116 B8 F40 N8 S4 -","4","1","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","0.71073","MoKα","","0.0724","0.0545","","","0.1455","0.1584","","","","","","1.052","","","","has coordinates,has disorder","240704","2020-10-21","18:00:00",""
"4130151","19.18","0.0004","18.5354","0.0004","18.4087","0.0004","90","","115.643","0.001","90","","5899.9","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-([1,1'-biphenyl]-2-yl)-5-(2-(2,2,6,6-tetramethylpiperidin- 1-ium-1-yl)phenyl)-5H-dibenzo[b,d]borol-5-uide","","- C39 H40 B N -","- C39 H40 B N -","- C312 H320 B8 N8 -","8","2","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","1.54178","CuKα","","0.0798","0.0583","","","0.1353","0.1464","","","","","","1.028","","","","has coordinates","240704","2020-10-21","18:00:00",""
"4130152","10.46","0.0007","12.8017","0.001","18.4489","0.0013","78.432","0.004","82.776","0.004","70.576","0.004","2277.8","0.3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C91.33 H136 F6 N2 Nb2 O8 P4 S2 -","- C91.3 H135.94 F6 N2 Nb2 O8 P4 S2 -","- C91.3 H135.94 F6 N2 Nb2 O8 P4 S2 -","1","0.5","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0688","0.0452","","","0.0985","0.1073","","","","","","1.047","","","","has coordinates","240705","2020-10-21","18:00:00",""
"4130153","12.3046","0.0012","12.9264","0.0013","15.7965","0.0015","112.094","0.005","104.837","0.005","90.285","0.005","2235.9","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H75 N Nb O P2 -","- C45 H75 N Nb O P2 -","- C90 H150 N2 Nb2 O2 P4 -","2","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.071","0.0436","","","0.0976","0.1091","","","","","","1.023","","","","has coordinates","240706","2020-10-21","18:00:00",""
"4130154","19.897","0.0013","9.6269","0.0007","20.0101","0.0013","90","","94.974","0.003","90","","3818.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 N Nb O P2 -","- C39 H58 N Nb O P2 -","- C156 H232 N4 Nb4 O4 P8 -","4","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0493","0.0359","","","0.0834","0.0918","","","","","","1.021","","","","has coordinates","240707","2020-10-21","18:00:00",""
"4130155","12.2863","0.0012","15.2474","0.0013","15.3656","0.0015","61.451","0.004","89.192","0.005","75.707","0.004","2431.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C45 H71 F3 N Nb O4 P2 S -","- C45 H71 F3 N Nb O4 P2 S -","- C90 H142 F6 N2 Nb2 O8 P4 S2 -","2","1","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0531","0.0439","","","0.1136","0.122","","","","","","1.047","","","","has coordinates","240708","2020-10-21","18:00:00",""
"4130156","13.2018","0.0004","13.2018","0.0004","57.5706","0.0017","90","","90","","90","","10033.8","0.5","100","","100","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C50 H85 Cl2 N Nb O P2 -","- C38 H57 Cl2 N Nb O P2 -","- C304 H456 Cl16 N8 Nb8 O8 P16 -","8","0.5","","Kurogi, Takashi; Carroll, Patrick J.; Mindiola, Daniel J.","A Terminally Bound Niobium Methylidyne.","Journal of the American Chemical Society","2016","138","13","4306","4309","10.1021/jacs.6b00830","","","0.71073","MoKα","","0.0846","0.074","","","0.1567","0.1601","","","","","","1.285","","","","has coordinates,has disorder","240709","2020-10-21","18:00:00",""
"4130157","32.499","0.007","32.499","0.007","32.499","0.007","90","","90","","90","","34325","13","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H64 N12 O30 Zr6 -","- C96 N12 O32 Zr6 -","- C384 N48 O128 Zr24 -","4","0.0208333","","Zhang, Teng; Manna, Kuntal; Lin, Wenbin","Metal-Organic Frameworks Stabilize Solution-Inaccessible Cobalt Catalysts for Highly Efficient Broad-Scope Organic Transformations.","Journal of the American Chemical Society","2016","138","9","3241","3249","10.1021/jacs.6b00849","","","0.518","","","0.1246","0.1177","","","0.2742","0.277","","","","","","2.369","","","","has coordinates","240710","2020-10-21","18:00:00",""
"4130158","25.4633","0.0016","12.1607","0.0008","22.1318","0.0014","90","","107.914","0.002","90","","6520.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25.33 H26.67 Co N4 O0.33 -","- C25.3333 H24 Co N4 O0.333333 -","- C304 H288 Co12 N48 O4 -","12","1.5","","Zhang, Teng; Manna, Kuntal; Lin, Wenbin","Metal-Organic Frameworks Stabilize Solution-Inaccessible Cobalt Catalysts for Highly Efficient Broad-Scope Organic Transformations.","Journal of the American Chemical Society","2016","138","9","3241","3249","10.1021/jacs.6b00849","","","0.71073","MoKα","","0.1003","0.0654","","","0.1723","0.1895","","","","","","1.196","","","","has coordinates","240711","2020-10-21","18:00:00",""
"4130159","15.041","0.002","20.148","0.003","24.408","0.004","90","","93.946","0.003","90","","7379.2","1.9","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C155 H164 Cl4 O12 P4 Pd2 -","- C155 H164 Cl4 O12 P4 Pd2 -","- C310 H328 Cl8 O24 P8 Pd4 -","2","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.0811","0.0589","","","0.1505","0.1651","","","","","","0.991","","","","has coordinates,has disorder","240712","2020-10-21","18:00:00",""
"4130160","11.208","0.006","13.107","0.006","14.164","0.007","78.649","0.009","72.073","0.008","77.763","0.009","1915.3","1.7","296","2","296.15","","","","","","","","","5","P 1","P 1","1","","","","- C41 H42 Cl4 N2 O2 -","- C41 H42 Cl4 N2 O2 -","- C82 H84 Cl8 N4 O4 -","2","2","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.1188","0.0594","","","0.1582","0.2014","","","","","","0.997","","","","has coordinates","240713","2020-10-21","18:00:00",""
"4130161","26.346","0.008","9.78","0.003","12.743","0.004","90","","101.641","0.005","90","","3215.9","1.7","296","2","296.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H40 N2 -","- C39 H40 N2 -","- C156 H160 N8 -","4","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.103","0.0723","","","0.1942","0.2263","","","","","","1.055","","","","has coordinates","240714","2020-10-21","18:00:00",""
"4130162","14.0399","0.001","18.7329","0.0014","25.5734","0.0018","90","","90","","90","","6726","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C74 H70 Cl4 O2 P2 -","- C74 H70 Cl4 O2 P2 -","- C296 H280 Cl16 O8 P8 -","4","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.1023","0.0643","","","0.1665","0.1919","","","","","","1.017","","","","has coordinates","240715","2020-10-21","18:00:00",""
"4130163","17.1202","0.0003","17.1515","0.0003","28.505","0.002","90","","122.17","0.005","90","","7085.1","0.7","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H60 Dy Ga4 N7 O22 -","- C73 H60 Dy Ga4 N7 O22 -","- C292 H240 Dy4 Ga16 N28 O88 -","4","1","","Chow, Chun Y.; Eliseeva, Svetlana V.; Trivedi, Evan R.; Nguyen, Tu N.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.","Ga(3+)/Ln(3+) Metallacrowns: A Promising Family of Highly Luminescent Lanthanide Complexes That Covers Visible and Near-Infrared Domains.","Journal of the American Chemical Society","2016","138","15","5100","5109","10.1021/jacs.6b00984","","","1.54178","CuKα","","0.0347","0.0346","","","0.0868","0.0869","","","","","","1.068","","","","has coordinates,has disorder","240716","2020-10-21","18:00:00",""
"4130164","13.9491","0.0003","38.2556","0.0012","42.6514","0.0012","105.529","0.003","92.47","0.002","91.599","0.002","21890.5","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C360 H288 Cd6 F72 N36 O24 P12 -","- C360 H288 Cd6 F72 N36 O24 P12 -","- C720 H576 Cd12 F144 N72 O48 P24 -","2","1","","Wang, Shih-Yu; Fu, Jun-Hao; Liang, Yen-Peng; He, Yun-Jui; Chen, Yu-Sheng; Chan, Yi-Tsu","Metallo-Supramolecular Self-Assembly of a Multicomponent Ditrigon Based on Complementary Terpyridine Ligand Pairing.","Journal of the American Chemical Society","2016","138","11","3651","3654","10.1021/jacs.6b01005","","","1.54178","CuKα","","0.2108","0.121","","","0.2992","0.3696","","","","","","1.2","","","","has coordinates,has disorder","240717","2020-10-21","18:00:00",""
"4130165","28.017","0.0006","54.0051","0.0011","15.5349","0.0003","90","","90","","90","","23505.2","0.8","200","2","200","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C61 H51 Cd F12 N7 O5 P2 -","- C61 H51 Cd F12 N7 O5 P2 -","- C976 H816 Cd16 F192 N112 O80 P32 -","16","1","","Wang, Shih-Yu; Fu, Jun-Hao; Liang, Yen-Peng; He, Yun-Jui; Chen, Yu-Sheng; Chan, Yi-Tsu","Metallo-Supramolecular Self-Assembly of a Multicomponent Ditrigon Based on Complementary Terpyridine Ligand Pairing.","Journal of the American Chemical Society","2016","138","11","3651","3654","10.1021/jacs.6b01005","","","1.54178","CuKα","","0.0561","0.0473","","","0.1126","0.1226","","","","","","1.045","","","","has coordinates","240718","2020-10-21","18:00:00",""
"4130166","5.8557","0.0009","9.2297","0.0013","17.447","0.003","96.214","0.002","95.884","0.002","90.396","0.002","932.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C40 H38 Cl2 N4 O8 -","2","1","","Huang, Rong; Chang, Xin; Li, Jun; Wang, Chun-Jiang","Cu(I)-Catalyzed Asymmetric Multicomponent Cascade Inverse Electron-Demand Aza-Diels-Alder/Nucleophilic Addition/Ring-Opening Reaction Involving 2-Methoxyfurans as Efficient Dienophiles.","Journal of the American Chemical Society","2016","138","12","3998","4001","10.1021/jacs.6b01008","","","0.71073","MoKα","","0.0564","0.0386","","","0.0875","0.1003","","","","","","1.014","","","","has coordinates","240719","2020-10-21","18:00:00",""
"4130167","8.205","0.002","7.412","0.002","8.636","0.003","90","","100.618","0.01","90","","516.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C22 H22 Br2 O4 -","2","1","","Garza, Victoria J.; Krische, Michael J.","Hydroxymethylation beyond Carbonylation: Enantioselective Iridium-Catalyzed Reductive Coupling of Formaldehyde with Allylic Acetates via Enantiotopic π-Facial Discrimination.","Journal of the American Chemical Society","2016","138","11","3655","3658","10.1021/jacs.6b01078","","","0.71073","MoKα","","0.0229","0.022","","","0.0531","0.0535","","","","","","1.047","","","","has coordinates","240720","2020-10-21","18:00:00",""
"4130168","20.569","0.002","15.5906","0.0015","18.3755","0.0018","90","","104.318","0.003","90","","5709.7","1","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 Cu F3 N4 O6 S -","- C26 H31 Cu F3 N4 O6 S -","- C208 H248 Cu8 F24 N32 O48 S8 -","8","1","","Lionetti, Davide; de Ruiter, Graham; Agapie, Theodor","A trans-Hyponitrite Intermediate in the Reductive Coupling and Deoxygenation of Nitric Oxide by a Tricopper-Lewis Acid Complex.","Journal of the American Chemical Society","2016","138","15","5008","5011","10.1021/jacs.6b01083","","","0.71073","MoKα","","0.074","0.0421","","","0.1018","0.1176","","","","","","1.032","","","","has coordinates","240721","2020-10-21","18:00:00",""
"4130169","13.8507","0.0013","16.8194","0.0017","21.214","0.002","105.556","0.003","105.602","0.003","94.915","0.003","4518.8","0.8","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C162 H179 Cu6 F18 N33 O28 S6 Y2 -","- C162 H179 Cu6 F18 N33 O28 S6 Y2 -","- C162 H179 Cu6 F18 N33 O28 S6 Y2 -","1","0.5","","Lionetti, Davide; de Ruiter, Graham; Agapie, Theodor","A trans-Hyponitrite Intermediate in the Reductive Coupling and Deoxygenation of Nitric Oxide by a Tricopper-Lewis Acid Complex.","Journal of the American Chemical Society","2016","138","15","5008","5011","10.1021/jacs.6b01083","","","0.71073","MoKα","","0.0779","0.0533","","","0.1446","0.1623","","","","","","1.038","","","","has coordinates,has disorder","240722","2020-10-21","18:00:00",""
"4130170","18.76","0.005","18.76","0.005","17.999","0.005","90","0.005","90","0.005","90","0.005","6335","3","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C36 H44 N22 O12 S2 Zn5 -","- C36 H32 N22 O12 S2 Zn5 -","- C144 H128 N88 O48 S8 Zn20 -","4","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0667","0.0638","","","0.1881","0.1913","","","","","","1.033","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130171","24.775","0.0016","24.775","0.0016","31.869","0.002","90","0.001","90","0.001","120","0.001","16940.5","1.9","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C26 H20 N10 O12 S3 Zn4 -","- C24 H12 N9 O12 S3 Zn4 -","- C192 H96 N72 O96 S24 Zn32 -","8","0.333333","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0871","0.0335","","","0.0858","0.0906","","","","","","0.992","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130172","16.294","0.0009","16.294","0.0009","31.752","0.0018","90","0.005","90","0.005","120","0.005","7300.6","0.8","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C58 H46 N20 O24 S3 Zn8 -","- C54 H18 N18 O24 S3 Zn8 -","- C108 H36 N36 O48 S6 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.0858","0.0618","","","0.2251","0.2547","","","","","","1.034","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130173","18.213","0.0006","18.213","0.0006","31.7057","0.0012","90","","90","","120","","9108.2","0.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C64 H52 N20 O24 S9 Zn8 -","- C60 H36 N18 O24 S9 Zn8 -","- C120 H72 N36 O48 S18 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.0698","0.0506","","","0.1563","0.1659","","","","","","1.08","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130174","18.748","0.004","18.748","","31.892","0.006","90","","90","","120","","9708","3","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C70 H52 N20 O24 S3 Zn8 -","- C66 H36 N18 O24 S3 Zn8 -","- C132 H72 N36 O48 S6 Zn16 -","2","0.166667","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.1075","0.0711","","","0.1604","0.1693","","","","","","1.016","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130175","34.858","0.005","38.935","0.005","19.106","0.003","90","0.005","121.613","0.002","90","0.005","22083","6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C76 H58 N22 O24 S3 Zn8 -","- C72 H42 N20 O24 S3 Zn8 -","- C288 H168 N80 O96 S12 Zn32 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71069","MoKα","","0.1137","0.0506","","","0.0964","0.1039","","","","","","0.994","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130176","52.786","","21.894","","33.863","","90","","129.9","","90","","30023.3","","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C88 H64 N20 O24 S3 Zn8 -","- C84 H48 N18 O24 S3 Zn8 -","- C336 H192 N72 O96 S12 Zn32 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.1436","0.0915","","","0.1799","0.1972","","","","","","0.991","","","","has coordinates","240723","2020-10-21","18:00:00",""
"4130177","26.0154","0.0007","70.791","0.002","43.7088","0.0014","90","","90","","90","","80497","4","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C106 H70 N26 O24 S3 Zn9.5 -","- C102 H54 N24 O24 S3 Zn9.5 -","- C816 H432 N192 O192 S24 Zn76 -","8","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai","Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","16","5299","5307","10.1021/jacs.6b01093","","","0.71073","MoKα","","0.0945","0.0754","","","0.2156","0.2341","","","","","","1.106","","","","has coordinates,has disorder","240723","2020-10-21","18:00:00",""
"4130178","38.7892","0.0005","10.0101","0.0002","19.4349","0.0003","90","","117.371","0.0007","90","","6701.43","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H22 B F10 O P -","- C39 H22 B F10 O P -","- C312 H176 B8 F80 O8 P8 -","8","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0703","0.0462","","0.1153","0.096","0.1153","","","","","","0.9363","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130179","11.8302","0.0005","13.0209","0.0005","13.4767","0.0006","65.883","0.004","67.537","0.004","78.866","0.003","1749.3","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39.14 H28.28 B2 Cl0.28 F10 N O P -","- C39.1379 H28.2758 B2 Cl0.2758 F10 N O P -","- C78.2758 H56.5516 B4 Cl0.5516 F20 N2 O2 P2 -","2","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.0454","0.0391","","","0.097","0.1019","","","","","","1.023","","","","has coordinates,has disorder","240724","2020-10-21","18:00:00",""
"4130180","10.0982","0.0001","19.7298","0.0002","20.527","0.0002","81.7674","0.0004","84.2722","0.0004","78.4057","0.0004","3954.32","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 B2 F10 N O P -","- C40 H30 B2 F10 N O P -","- C160 H120 B8 F40 N4 O4 P4 -","4","2","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.09","0.055","","0.1708","0.1327","0.1708","","","","","","0.9841","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130181","10.2093","0.0001","15.8891","0.0002","22.2346","0.0004","90","","94.2105","0.0006","90","","3597.09","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 B2 F10 N O P -","- C41 H32 B2 F10 N O P -","- C164 H128 B8 F40 N4 O4 P4 -","4","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0918","0.0446","","0.136","0.0951","0.136","","","","","","0.9789","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130182","13.1679","0.0004","15.0411","0.0004","20.7964","0.0004","90","","94.719","0.002","90","","4104.97","0.18","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 B2 Cl2 F10 N O P -","- C43 H36 B2 Cl2 F10 N O P -","- C172 H144 B8 Cl8 F40 N4 O4 P4 -","4","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.0837","0.06","","0.155","0.1378","0.1548","","","","","","0.9542","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130183","9.9719","0.0001","17.3317","0.0002","21.4305","0.0003","90","","91.939","0.0006","90","","3701.71","0.08","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 B3 F10 N2 O P -","- C39 H32 B3 F10 N2 O P -","- C156 H128 B12 F40 N8 O4 P4 -","4","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0778","0.0445","","0.1137","0.0875","0.1137","","","","","","0.9627","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130184","10.7616","0.0004","29.2049","0.001","15.4643","0.0008","90","","106.367","0.004","90","","4663.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H102 B6 F20 N4 O5 P2 -","- C94 H102 B6 F20 N4 O5 P2 -","- C188 H204 B12 F40 N8 O10 P4 -","2","0.5","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.089","0.0713","","","0.1768","0.187","","","","","","1.081","","","","has coordinates,has disorder","240724","2020-10-21","18:00:00",""
"4130185","12.4563","0.0002","12.7878","0.0002","13.9516","0.0002","97.1164","0.0007","110.102","0.0007","96.6299","0.0007","2040.88","0.06","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H28 B2 Cl2 F10 N O P -","- C40 H28 B2 Cl2 F10 N O P -","- C80 H56 B4 Cl4 F20 N2 O2 P2 -","2","1","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","0.71073","MoKα","","0.0683","0.0503","","0.1453","0.1247","0.1453","","","","","","0.9601","","","","has coordinates","240724","2020-10-21","18:00:00",""
"4130186","21.3231","0.0004","8.5517","0.0001","41.7671","0.0009","90","","101.146","0.002","90","","7472.5","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C91 H90 B2 Cl2 O2 P2 -","- C91 H90 B2 Cl2 O2 P2 -","- C364 H360 B8 Cl8 O8 P8 -","4","0.5","","Mo, Zhenbo; Rit, Arnab; Campos, Jesús; Kolychev, Eugene L.; Aldridge, Simon","Catalytic B-N Dehydrogenation Using Frustrated Lewis Pairs: Evidence for a Chain-Growth Coupling Mechanism.","Journal of the American Chemical Society","2016","138","10","3306","3309","10.1021/jacs.6b01170","","","1.5418","CuKα","","0.0438","0.0429","","0.1047","0.1042","0.1047","","","","","","1.0066","","","","has coordinates,has disorder","240724","2020-10-21","18:00:00",""
"4130187","6.5466","0.0003","14.9516","0.0006","50.431","0.002","90","","90","","90","","4936.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F N2 O6 S -","- C25 H25 F N2 O6 S -","- C200 H200 F8 N16 O48 S8 -","8","2","","Trost, Barry M.; Saget, Tanguy; Hung, Chao-I Joey","Direct Catalytic Asymmetric Mannich Reactions for the Construction of Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2016","138","11","3659","3662","10.1021/jacs.6b01187","","","1.54178","CuKα","","0.0434","0.0421","","","0.1081","0.1093","","","","","","1.033","","","","has coordinates,has disorder","240725","2020-10-21","18:00:00",""
"4130188","15.4073","0.0009","13.5221","0.0016","20.4502","0.0016","90","","90","","90","","4260.6","0.7","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C208 H192 N32 -","16","2","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.041","0.0376","","","0.0923","0.095","","","","","","1.044","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130189","19.6236","0.0014","14.018","0.002","22.9158","0.0018","90","","111.508","0.005","90","","5864.8","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl6 N2 O9 Pd2 -","- C21 H20 Cl6 N2 O9 Pd2 -","- C168 H160 Cl48 N16 O72 Pd16 -","8","2","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","","1.54178","CuKα","","0.026","0.0217","","","0.0529","0.0551","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4130190","12.919","0.004","14.743","0.005","25.813","0.012","89.68","0.02","85.15","0.017","66.57","0.03","4493","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C69 H62 Cl18 N8 O20 Pd4 -","- C69 H62 Cl18 N8 O20 Pd4 -","- C138 H124 Cl36 N16 O40 Pd8 -","2","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","K-L~3~","0.0949","0.064","","","0.1402","0.1503","","","","","","1.076","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130191","5.9835","0.0005","10.44","0.0009","12.697","0.002","73.333","0.005","88.112","0.007","88.791","0.006","759.36","0.15","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl6 N4 O6 Pd -","- C28 H20 Cl6 N4 O6 Pd -","- C28 H20 Cl6 N4 O6 Pd -","1","0.5","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","K-L~3~","0.0245","0.0226","","","0.0543","0.0551","","","","","","1.068","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130192","11.337","0.004","20.912","0.008","13.689","0.005","90","","97.432","0.016","90","","3218","2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.87 H25.87 Cl5.6 N2 O8 Pd2 -","- C22.8697 H25.8697 Cl5.6091 N2 O8 Pd2 -","- C91.4788 H103.479 Cl22.4364 N8 O32 Pd8 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","K-L~3~","0.0226","0.0197","","","0.0477","0.0495","","","","","","1.071","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130193","10.376","0.003","12.988","0.002","17.735","0.003","90","","101.52","0.014","90","","2341.9","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18.47 H19.47 Cl4.42 N2 O4 Pd -","- C18.4718 H19.4718 Cl4.4154 N2 O4 Pd -","- C73.8872 H77.8872 Cl17.6616 N8 O16 Pd4 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","K-L~3~","0.0253","0.0247","","","0.0719","0.0723","","","","","","1.176","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130194","14.8547","0.0016","16.258","0.003","15.2201","0.0013","90","","115.105","0.006","90","","3328.5","0.8","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H8 F18 N2 O13 Pd2 -","- C23 H8 F18 N2 O13 Pd2 -","- C92 H32 F72 N8 O52 Pd8 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.0429","0.036","","","0.0972","0.103","","","","","","1.021","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130195","11.0499","0.001","11.1974","0.0009","11.2382","0.0007","96.618","0.003","114.186","0.003","99.355","0.005","1225.77","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H8 F12 N2 O9 Pd -","- C19 H8 F12 N2 O9 Pd -","- C38 H16 F24 N4 O18 Pd2 -","2","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.0218","0.0218","","","0.0568","0.0568","","","","","","1.134","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130196","12.971","0.005","13.996","0.004","15.387","0.004","73.854","0.017","72.031","0.006","80.916","0.007","2544.4","1.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43.54 H49.54 Cl4.63 N4 O10 Pd2 -","- C43.531 H49.531 Cl4.593 N4 O10 Pd2 -","- C87.062 H99.062 Cl9.186 N8 O20 Pd4 -","2","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","","0.0679","0.0653","","","0.1446","0.1458","","","","","","1.287","","","","has coordinates,has disorder","240726","2020-10-21","18:00:00",""
"4130197","24.5357","0.001","8.7047","0.0004","26.4314","0.001","90","","122.616","0.002","90","","4754.9","0.4","100","","99.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C50 H12 F20 N4 O10 Pd2 -","- C50 H12 F20 N4 O10 Pd2 -","- C200 H48 F80 N16 O40 Pd8 -","4","1","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","0.71073","MoKα","","0.0521","0.0344","","","0.0665","0.0727","","","","","","1.022","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130198","13.763","0.003","13.763","0.003","6.746","0.004","90","","90","","90","","1277.8","0.9","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 S4 Ta -","- C28 H16 F6 S4 Ta -","- C56 H32 F12 S8 Ta2 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0478","","","","0.1459","","","","","","1.019","","","","has coordinates","240727","2020-10-21","18:00:00",""
"4130199","13.7406","0.0018","13.7406","0.0018","6.744","0.003","90","","90","","90","","1273.3","0.6","293","","293","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 S4 Sb -","- C28 H16 F6 S4 Sb -","- C56 H32 F12 S8 Sb2 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0404","","","","0.0737","","","","","","1.275","","","","has coordinates","240728","2020-10-21","18:00:00",""
"4130200","13.5835","0.0013","13.5835","0.0013","6.737","0.003","90","","90","","90","","1243.1","0.6","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 As F6 S4 -","- C28 H16 As F6 S4 -","- C56 H32 As2 F12 S8 -","2","0.25","","Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko","Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability.","Journal of the American Chemical Society","2016","138","11","3920","3925","10.1021/jacs.6b01213","","","0.71069","MoKα","","","0.0467","","","","0.1245","","","","","","1.049","","","","has coordinates","240730","2020-10-21","18:00:00",""
"4130201","8.8403","0.0007","9.8113","0.0007","18.8722","0.0014","90","","90","","90","","1636.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O -","- C19 H18 Br N O -","- C76 H72 Br4 N4 O4 -","4","1","","Liu, Ren-Rong; Li, Bao-Le; Lu, Jun; Shen, Chong; Gao, Jian-Rong; Jia, Yi-Xia","Palladium/l-Proline-Catalyzed Enantioselective α-Arylative Desymmetrization of Cyclohexanones.","Journal of the American Chemical Society","2016","138","16","5198","5201","10.1021/jacs.6b01214","","","0.71073","MoKα","","0.0879","0.0396","","","0.0757","0.0909","","","","","","1.018","","","","has coordinates","240731","2020-10-21","18:00:00",""
"4130202","11.8131","0.001","12.9608","0.0011","26.409","0.002","90","","90","","90","","4043.4","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 Ir S2 -","- C12 H25 B10 Ir S2 -","- C96 H200 B80 Ir8 S16 -","8","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0431","0.0252","","","0.0592","0.0637","","","","","","1.006","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130203","16.7982","0.0014","12.1828","0.001","21.8063","0.0018","90","","109.582","0.001","90","","4204.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 B10 F3 Ir P S2 -","- C30 H37 B10 F3 Ir P S2 -","- C120 H148 B40 F12 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0386","0.0334","","","0.0994","0.1023","","","","","","1.103","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130204","11.9911","0.0012","18.2907","0.0018","19.1405","0.0018","93.963","0.002","92.945","0.001","95.033","0.001","4164.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H46 B10 Ir O3 P S2 -","- C33 H46 B10 Ir O3 P S2 -","- C132 H184 B40 Ir4 O12 P4 S8 -","4","2","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0503","0.0414","","","0.1276","0.1336","","","","","","1.118","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130205","22.537","0.003","9.9686","0.0011","12.6468","0.0014","90","","90","","90","","2841.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H40 B10 Ir P S2 -","- C18 H40 B10 Ir P S2 -","- C72 H160 B40 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0295","0.0262","","","0.0601","0.0611","","","","","","1.013","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130206","17.2081","0.0016","11.4691","0.0011","21.3963","0.0014","90","","125.744","0.003","90","","3427.4","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B10 Ir P S2 -","- C30 H40 B10 Ir P S2 -","- C120 H160 B40 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0603","0.0552","","","0.1349","0.1362","","","","","","1.03","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130207","15.507","0.003","19.538","0.004","22.556","0.004","90","","91.978","0.003","90","","6830","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 B10 F3 Ir P S2 -","- C30 H37 B10 F3 Ir P S2 -","- C240 H296 B80 F24 Ir8 P8 S16 -","8","2","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0607","0.0434","","","0.1147","0.1261","","","","","","1.009","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130208","12.019","0.002","9.9038","0.0018","38.907","0.007","90","","93.446","0.003","90","","4622.9","1.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C33 H46 B10 Ir O3 P S2 -","- C33 H46 B10 Ir O3 P S2 -","- C132 H184 B40 Ir4 O12 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.034","0.0299","","","0.0763","0.0778","","","","","","1.179","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130209","9.1894","0.0008","10.8105","0.001","14.5584","0.0013","85.042","0.001","89.59","0.001","74.622","0.001","1389.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 B10 Ir P S2 -","- C18 H40 B10 Ir P S2 -","- C36 H80 B20 Ir2 P2 S4 -","2","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0515","0.0474","","","0.1414","0.1585","","","","","","1.113","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130210","12.281","0.003","14.51","0.003","19.708","0.004","90","","101.393","0.002","90","","3442.7","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B10 Ir P S2 -","- C30 H40 B10 Ir P S2 -","- C120 H160 B40 Ir4 P4 S8 -","4","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0482","0.0405","","","0.1195","0.1367","","","","","","1.079","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130211","16.2172","0.0004","17.2657","0.0008","21.5757","0.001","85.709","0.004","68.48","0.003","64.959","0.003","5068.6","0.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C132 H112 S8 -","- C132 H112 S8 -","- C264 H224 S16 -","2","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Synthesis and Structural Features of Quadruple Helicenes: Highly Distorted π Systems Enabled by Accumulation of Helical Repulsions.","Journal of the American Chemical Society","2016","138","10","3587","3595","10.1021/jacs.6b01303","","","0.71075","MoKα","","0.0414","0.0358","","","0.0903","0.0954","","","","","","1.036","","","","has coordinates,has disorder","240733","2020-10-21","18:00:00",""
"4130212","17.2313","0.0019","12.0935","0.0011","25.119","0.003","90","","106.951","0.002","90","","5007.1","0.9","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H56 S4 -","- C66 H56 S4 -","- C264 H224 S16 -","4","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Synthesis and Structural Features of Quadruple Helicenes: Highly Distorted π Systems Enabled by Accumulation of Helical Repulsions.","Journal of the American Chemical Society","2016","138","10","3587","3595","10.1021/jacs.6b01303","","","0.71075","MoKα","","0.0676","0.0472","","","0.1124","0.1275","","","","","","1.058","","","","has coordinates,has disorder","240733","2020-10-21","18:00:00",""
"4130213","11.6412","0.0003","17.092","0.0004","23.7775","0.0005","90","","100.771","0.001","90","","4647.69","0.19","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H61 Al P2 Pt -","- C52 H61 Al P2 Pt -","- C208 H244 Al4 P8 Pt4 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0526","0.0305","","","0.0679","0.076","","","","","","1.02","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130214","12.5062","0.0009","18.9753","0.0013","21.519","0.0014","97.69","0.002","92.244","0.002","108.259","0.002","4788","0.6","193","2","193.02","","","","","","","","","6","P -1","-P 1","2","","","","- C108 H126 Al2 O4.5 P4 Pt2 -","- C108 H126 Al2 O4.5 P4 Pt2 -","- C216 H252 Al4 O9 P8 Pt4 -","2","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.07","0.0478","","","0.1076","0.1163","","","","","","1.094","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130215","20.0944","0.0015","14.1515","0.001","17.3483","0.0012","90","","100.857","0.002","90","","4845","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 Al P2 Pt S2 -","- C53 H61 Al P2 Pt S2 -","- C212 H244 Al4 P8 Pt4 S8 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0479","0.0387","","","0.09","0.0949","","","","","","1.061","","","","has coordinates","240734","2020-10-21","18:00:00",""
"4130216","15.9092","0.0005","23.258","0.0006","16.4934","0.0005","90","","110.253","0.001","90","","5725.5","0.3","193","2","193","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C60 H70 Al Cl2 N O P2 Pt -","- C60 H70 Al Cl2 N O P2 Pt -","- C240 H280 Al4 Cl8 N4 O4 P8 Pt4 -","4","1","","Devillard, Marc; Declercq, Richard; Nicolas, Emmanuel; Ehlers, Andreas W.; Backs, Jana; Saffon-Merceron, Nathalie; Bouhadir, Ghenwa; Slootweg, J. Chris; Uhl, Werner; Bourissou, Didier","A Significant but Constrained Geometry Pt→Al Interaction: Fixation of CO2 and CS2, Activation of H2 and PhCONH2.","Journal of the American Chemical Society","2016","138","14","4917","4926","10.1021/jacs.6b01320","","","0.71073","MoKα","","0.0227","0.0199","","","0.0424","0.0435","","","","","","1.028","","","","has coordinates,has disorder","240734","2020-10-21","18:00:00",""
"4130217","15.49394","0.00009","15.49394","0.00009","12.31213","0.00015","90","","90","","90","","2955.68","0.04","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 0.90 D2","","","- C8 H4 D1.82 In O5 -","- C8 H4 D1.818 In O5 -","- C64 H32 D14.544 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","3.38841","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130218","15.49227","0.0001","15.49227","0.0001","12.31047","0.00018","90","","90","","90","","2954.64","0.05","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 1.60 D2","","","- C8 H4 D3.21 In O5 -","- C8 H4 D3.206 In O5 -","- C64 H32 D25.648 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","3.88994","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130219","15.48888","0.00013","15.48888","0.00013","12.30827","0.00019","90","","90","","90","","2952.82","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 2.99 D2","","","- C8 H4 D5.98 In O5 -","- C8 H4 D5.978 In O5 -","- C64 H32 D47.824 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","4.18031","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130220","15.48281","0.00012","15.48281","0.00012","12.3009","0.0002","90","","90","","90","","2948.74","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 4.83 D2","","","- C8 H4 D9.67 In O5 -","- C8 H4 D9.67 In O5 -","- C64 H32 D77.36 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","4.66617","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130221","15.49785","0.00017","15.49785","0.00017","12.3052","0.0002","90","","90","","90","","2955.5","0.07","","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300 (In) 6.08 D2","","","- C8 H4 D12.17 In O5 -","- C8 H4 D12.168 In O5 -","- C64 H32 D97.344 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","5.45194","","","","","","","has coordinates","240735","2020-10-21","18:00:00",""
"4130222","15.46363","0.00005","15.46363","0.00005","12.29044","0.0001","90","","90","","90","","2938.94","0.03","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) Desolvated","","","- C8 H4 In O5 -","- C8 H4 In O5 -","- C64 H32 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","1.89138","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130223","15.46363","0.00005","15.46363","0.00005","12.29044","0.0001","90","","90","","90","","2938.94","0.03","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) 1.09 CD4","","","- C9.09 H4 D4.35 In O5 -","- C9.088 H4 D4.352 In O5 -","- C72.704 H32 D34.816 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","1.88888","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130224","15.43745","0.0001","15.43745","0.0001","12.2848","0.0002","90","","90","","90","","2927.65","0.05","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) 2.09 CD4","","","- C10.09 H4 D8.36 In O5 -","- C10.09 H4 D8.36 In O5 -","- C80.72 H32 D66.88 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","5.11525","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130225","15.5019","0.0003","15.5019","0.0003","12.306","0.0003","90","","90","","90","","2957.24","0.11","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","NOTT-300 (In) 3.11 CD4","","","- C11.11 H4 D12.44 In O5 -","- C11.11 H4 D12.44 In O5 -","- C88.88 H32 D99.52 In8 O40 -","8","0.5","","Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudić, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schröder, Martin","Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","29","9119","9127","10.1021/jacs.6b01323","powder diffraction","neutron","","neutron","","","","","","","","","","5.47246","","","","","","","has coordinates","240736","2020-10-21","18:00:00",""
"4130226","9.6472","0.0002","14.2251","0.0004","26.6001","0.0007","90","","93.415","0.0014","90","","3643.91","0.16","100","2","100.04","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C131 H112 F48 N16 O P8 -","- C131 H112 F48 N16 O P8 -","- C131 H112 F48 N16 O P8 -","1","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","0.71073","MoKα","","0.107","0.0744","","","0.2018","0.2238","","","","","","1.067","","","","has coordinates,has disorder","240737","2020-10-21","18:00:00",""
"4130227","10.5028","0.0007","11.0221","0.0007","21.9016","0.0015","82.419","0.004","82.604","0.004","63.647","0.003","2245","0.3","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H60 F24 N6 O P4 -","- C77 H60 F24 N6 O P4 -","- C77 H60 F24 N6 O P4 -","1","0.5","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","0.71073","MoKα","","0.1348","0.0725","","","0.1986","0.2206","","","","","","1.074","","","","has coordinates,has disorder","240738","2020-10-21","18:00:00",""
"4130228","11.465","0.002","22.063","0.004","23.253","0.004","90","","90","","90","","5881.9","1.8","100","2","99.97","","","","","","","","","5","I c m a","-I 2b 2b","72","","","","- C42 H35 F24 N5 P4 -","- C42 H35 F24 N5 P4 -","- C168 H140 F96 N20 P16 -","4","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54184","CuKα","","0.058","0.056","","","0.173","0.1756","","","","","","1.152","","","","has coordinates,has disorder","240739","2020-10-21","18:00:00",""
"4130229","24.3589","0.0017","16.5544","0.0012","10.64","0.0007","90","","108.44","0.003","90","","4070.3","0.5","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C92 H68 F24 N6 P4 -","- C92 H68 F24 N6 P4 -","- C184 H136 F48 N12 P8 -","2","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54178","CuKα","","0.1182","0.1148","","","0.4426","0.4576","","","","","","2.464","","","","has coordinates,has disorder","240740","2020-10-21","18:00:00",""
"4130230","24.3589","0.0017","16.5544","0.0012","10.64","0.0007","90","","108.44","0.003","90","","4070.3","0.5","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C76 H58 F24 N6 P4 -","- C76 H58 F24 N6 P4 -","- C152 H116 F48 N12 P8 -","2","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54184","CuKα","","0.1111","0.1068","","","0.2911","0.2955","","","","","","1.08","","","","has coordinates,has disorder","240741","2020-10-21","18:00:00",""
"4130231","3.7693","0.0004","8.5103","0.0011","14.0577","0.0017","93.315","0.007","91.465","0.006","94.628","0.007","448.51","0.09","98","","98","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 B N O4 -","- C7 H10 B N O4 -","- C14 H20 B2 N2 O8 -","2","1","","Mfuh, Adelphe M.; Doyle, John D.; Chhetri, Bhuwan; Arman, Hadi D.; Larionov, Oleg V.","Scalable, Metal- and Additive-Free, Photoinduced Borylation of Haloarenes and Quaternary Arylammonium Salts.","Journal of the American Chemical Society","2016","138","9","2985","2988","10.1021/jacs.6b01376","","","0.71075","MoKα","","0.0861","0.0663","","","0.1328","0.1436","","","","","","1.008","","","","has coordinates,has disorder","240742","2020-10-21","18:00:00",""
"4130232","9.477","0.005","10.236","0.005","17.108","0.009","79.721","0.009","75.293","0.008","73.022","0.009","1525.5","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 Si2 U -","- C28 H48 Si2 U -","- C56 H96 Si4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0526","0.0443","","","0.1175","0.1274","","","","","","1.078","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130233","10.679","0.004","10.686","0.004","18.045","0.007","75.212","0.006","89.597","0.006","67.141","0.005","1824.8","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 U -","- C48 H50 U -","- C96 H100 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0386","0.0321","","","0.0686","0.0711","","","","","","1.022","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130234","10.937","0.004","20.247","0.007","16.033","0.006","90","","92.007","0.007","90","","3548","2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C36 H54 Si2 U -","- C36 H54 Si2 U -","- C144 H216 Si8 U4 -","4","2","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0561","0.0433","","","0.0757","0.0812","","","","","","0.968","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130235","10.638","0.003","17.957","0.005","16.468","0.005","90","","96.93","0.005","90","","3122.8","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Si2 U -","- C30 H48 Si2 U -","- C120 H192 Si8 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0517","0.0391","","","0.0855","0.091","","","","","","0.972","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130236","10.067","0.003","13.204","0.004","15.629","0.005","91.041","0.006","93.523","0.005","106.663","0.005","1985.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 N2 U -","- C46 H52 N2 U -","- C92 H104 N4 U2 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0476","0.0365","","","0.0716","0.0759","","","","","","1.017","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130237","10","0.005","10.239","0.005","30.016","0.015","88.261","0.01","88.141","0.01","89.215","0.011","3070","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 N4 U2 -","- C72 H92 N4 U2 -","- C144 H184 N8 U4 -","2","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.1127","0.0657","","","0.1267","0.1461","","","","","","1.01","","","","has coordinates,has disorder","240743","2020-10-21","18:00:00",""
"4130238","10.435","0.004","20.16","0.009","20.298","0.009","64.74","0.008","83.339","0.009","82.279","0.008","3819","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N2 U -","- C46 H50 N2 U -","- C184 H200 N8 U4 -","4","2","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.1143","0.0577","","","0.0992","0.1185","","","","","","0.943","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130239","11.055","0.004","15.371","0.006","17.245","0.007","90","","90.119","0.007","90","","2930","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N3 U -","- C30 H51 N3 U -","- C120 H204 N12 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.052","0.0359","","","0.0685","0.0742","","","","","","0.974","","","","has coordinates","240743","2020-10-21","18:00:00",""
"4130240","18.785","0.006","11.512","0.004","19.584","0.006","90","","101.439","0.005","90","","4151","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H70 N2 Si2 U -","- C41 H70 N2 Si2 U -","- C164 H280 N8 Si8 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0619","0.041","","","0.0871","0.0957","","","","","","1.034","","","","has coordinates,has disorder","240743","2020-10-21","18:00:00",""
"4130241","10.2536","0.0017","14.957","0.003","20.016","0.003","90","","95.213","0.003","90","","3057","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N2 U -","- C34 H44 N2 U -","- C136 H176 N8 U4 -","4","1","","Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.","Journal of the American Chemical Society","2016","138","15","5130","5142","10.1021/jacs.6b01391","","","0.71073","MoKα","","0.0585","0.0332","","","0.0623","0.0693","","","","","","0.97","","","","has coordinates,has disorder","240743","2020-10-21","18:00:00",""
"4130242","10.4496","0.0005","21.0182","0.001","23.6119","0.001","114.188","0.002","96.984","0.003","97.993","0.002","4592.2","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C206 H162 N4 -","- C206 H162 N4 -","- C206 H162 N4 -","1","0.5","","Jiang, Xing; O'Brien, Zachary J; Yang, Song; Lai, Lan Huong; Buenaflor, Jeffrey; Tan, Colleen; Khan, Saeed; Houk, K. N.; Garcia-Garibay, Miguel A","Crystal Fluidity Reflected by Fast Rotational Motion at the Core, Branches, and Peripheral Aromatic Groups of a Dendrimeric Molecular Rotor.","Journal of the American Chemical Society","2016","138","13","4650","4656","10.1021/jacs.6b01398","","","1.54178","CuKα","","0.061","0.0492","","","0.1397","0.1487","","","","","","1.054","","","","has coordinates,has disorder","240744","2020-10-21","18:00:00",""
"4130243","6.90752","0.00009","7.97355","0.00009","15.9186","0.0002","90","","100.406","0.0012","90","","862.336","0.019","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C42 H44 N4 O8 -","2","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.7107","MoKα","","0.0331","0.0286","","","0.0825","0.0849","","","","","","1.024","","","","has coordinates,has disorder","240745","2020-10-21","18:00:00",""
"4130244","10.2983","0.0009","8.8605","0.0008","12.0623","0.0011","90","","93.01","0.003","90","","1099.14","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 I N2 O3 -","- C22 H29 I N2 O3 -","- C44 H58 I2 N4 O6 -","2","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.71073","MoKα","","0.0942","0.0798","","","0.1982","0.21","","","","","","1.031","","","","has coordinates,has disorder","240746","2020-10-21","18:00:00",""
"4130245","20.6494","0.0003","12.6339","0.0002","6.81766","0.00011","90","","90","","90","","1778.61","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Kirillova, Mariia S.; Muratore, Michael E.; Dorel, Ruth; Echavarren, Antonio M.","Concise Total Synthesis of Lundurines A-C Enabled by Gold Catalysis and a Homodienyl Retro-Ene/Ene Isomerization.","Journal of the American Chemical Society","2016","138","11","3671","3674","10.1021/jacs.6b01428","","","0.7107","MoKα","","0.0385","0.0316","","","0.0879","0.0912","","","","","","1.044","","","","has coordinates","240747","2020-10-21","18:00:00",""
"4130246","5.8695","0.0003","9.7673","0.0005","33.518","0.0018","90","","90","","90","","1921.56","0.17","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C84 H80 N8 O24 -","4","1","","Park, Jung-Woo; Chen, Zhiwei; Dong, Vy M.","Rhodium-Catalyzed Enantioselective Cycloisomerization to Cyclohexenes Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2016","138","10","3310","3313","10.1021/jacs.6b01445","","","0.71073","MoKα","","0.0334","0.0304","","","0.0742","0.076","","","","","","1.032","","","","has coordinates","240748","2020-10-21","18:00:00",""
"4130247","5.7277","0.0003","6.9124","0.0004","15.0468","0.0009","90","","97.42","0.004","90","","590.75","0.06","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C28 H22 N2 O8 -","2","1","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.0613","0.0427","","","0.0929","0.1163","","","","","","1.091","","","","has coordinates","240749","2020-10-21","18:00:00",""
"4130248","6.322","0.003","11.622","0.006","12.849","0.006","97.27","0.02","90.705","0.009","100.009","0.014","921.7","0.8","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.0586","0.0503","","","0.1243","0.1271","","","","","","1.039","","","","has coordinates","240750","2020-10-21","18:00:00",""
"4130249","25.1792","0.0005","9.4169","0.0002","32.0162","0.0006","90","","105.52","0.001","90","","7314.6","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C312 H396 N12 O60 -","12","6","","Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji","A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization.","Journal of the American Chemical Society","2016","138","16","5206","5209","10.1021/jacs.6b01462","","","1.54187","CuKα","","0.1311","0.0706","","","0.1731","0.2536","","","","","","1.077","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4130250","11.885","0.005","14.91","0.006","15.662","0.006","90","","83.841","0.013","90","","2759.4","1.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Al F15 O2 Si -","- C25 H16 Al F15 O2 Si -","- C100 H64 Al4 F60 O8 Si4 -","4","1","","Chen, Jiawei; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts.","Journal of the American Chemical Society","2016","138","16","5321","5333","10.1021/jacs.6b01497","","","0.71073","MoKα","","0.0399","0.028","","","0.0554","0.0603","","","","","","1.018","","","","has coordinates","240752","2020-10-21","18:00:00",""
"4130251","9.3295","0.0019","10.959","0.002","14.335","0.003","105.772","0.005","90.51","0.006","103.244","0.005","1369","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 B F15 O2 Si -","- C25 H16 B F15 O2 Si -","- C50 H32 B2 F30 O4 Si2 -","2","1","","Chen, Jiawei; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Selective Reduction of CO2 to CH4 by Tandem Hydrosilylation with Mixed Al/B Catalysts.","Journal of the American Chemical Society","2016","138","16","5321","5333","10.1021/jacs.6b01497","","","0.71073","MoKα","","0.0688","0.0381","","","0.0726","0.0853","","","","","","1.018","","","","has coordinates","240753","2020-10-21","18:00:00",""
"4130252","11.788","0.006","15.996","0.009","19.544","0.011","90","","102.051","0.017","90","","3604","3","450","2","450","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe N8 -","- C40 H34 Fe N8 -","- C160 H136 Fe4 N32 -","4","1","","Travieso-Puente, Raquel; Broekman, J. O. P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex.","Journal of the American Chemical Society","2016","138","17","5503","5506","10.1021/jacs.6b01552","","","0.71073","MoKα","","0.1372","0.0561","","","0.1062","0.1443","","","","","","1.023","","","","has coordinates","240754","2020-10-21","18:00:00",""
"4130253","12.1244","0.0007","14.1187","0.0008","18.1921","0.001","90","","93.083","0.002","90","","3109.6","0.3","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C28 H35 Fe0.5 N4.5 -","- C28 H35 Fe0.5 N4.5 -","- C112 H140 Fe2 N18 -","4","1","","Travieso-Puente, Raquel; Broekman, J. O. P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex.","Journal of the American Chemical Society","2016","138","17","5503","5506","10.1021/jacs.6b01552","","","0.71073","MoKα","","0.077","0.0625","","","0.1405","0.1496","","","","","","1.132","","","","has coordinates","240755","2020-10-21","18:00:00",""
"4130254","8.5794","0.0003","11.7518","0.0004","33.5114","0.0012","90","","95.9494","0.001","90","","3360.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe N8 -","- C40 H34 Fe N8 -","- C160 H136 Fe4 N32 -","4","1","","Travieso-Puente, Raquel; Broekman, J. O. P.; Chang, Mu-Chieh; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex.","Journal of the American Chemical Society","2016","138","17","5503","5506","10.1021/jacs.6b01552","","","0.71073","MoKα","","0.0576","0.0442","","","0.0929","0.0979","","","","","","1.105","","","","has coordinates","240756","2020-10-21","18:00:00",""
"4130255","9.271","0.003","8.423","0.003","9.739","0.003","90","","114.214","0.005","90","","693.6","0.4","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Hatano, Miyuki; Ebe, Yusuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric Alkylation of N-Sulfonylbenzamides with Vinyl Ethers via C-H Bond Activation Catalyzed by Hydroxoiridium/Chiral Diene Complexes.","Journal of the American Chemical Society","2016","138","12","4010","4013","10.1021/jacs.6b01591","","","1.54187","CuKα","","0.0387","0.0371","","","0.0895","0.0901","","","","","","1.014","","","","has coordinates","240757","2020-10-21","18:00:00",""
"4130256","8.665","0.002","18.938","0.004","21.097","0.005","90","","90","","90","","3462","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 N2 O8 S2 -","- C34 H38 N2 O8 S2 -","- C136 H152 N8 O32 S8 -","4","1","","Hatano, Miyuki; Ebe, Yusuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric Alkylation of N-Sulfonylbenzamides with Vinyl Ethers via C-H Bond Activation Catalyzed by Hydroxoiridium/Chiral Diene Complexes.","Journal of the American Chemical Society","2016","138","12","4010","4013","10.1021/jacs.6b01591","","","1.54187","CuKα","","0.0416","0.0355","","","0.0857","0.0872","","","","","","1.022","","","","has coordinates","240758","2020-10-21","18:00:00",""
"4130257","9.121","0.0014","10.639","0.0016","11.3056","0.0018","67.036","0.004","73.952","0.004","85.831","0.004","970","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H46 B F8 N5 Ru -","- C31 H46 B F8 N5 Ru -","- C31 H46 B F8 N5 Ru -","1","1","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0302","0.0293","","","0.0679","0.0684","","","","","","1.02","","","","has coordinates","240759","2020-10-21","18:00:00",""
"4130258","21.221","0.007","13.81","0.004","9.163","0.003","90","","103.056","0.007","90","","2615.9","1.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32 H58 Cl10 N6 Ru3 -","- C32 H58 Cl10 N6 Ru3 -","- C64 H116 Cl20 N12 Ru6 -","2","0.25","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0867","0.0656","","","0.2019","0.2187","","","","","","1.092","","","","has coordinates","240760","2020-10-21","18:00:00",""
"4130259","10.8977","0.0003","34.0657","0.0011","11.0451","0.0004","90","","90","","90","","4100.4","0.2","150.03","0.1","150.03","0.1","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C30 H54 B2 F8 N6 Ru -","- C30 H54 B2 F8 N6 Ru -","- C120 H216 B8 F32 N24 Ru4 -","4","0.5","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","x-ray","0.71073","MoKα","","0.1126","0.0573","","","0.1217","0.1505","","","","","","1.043","","","","has coordinates,has disorder","240761","2020-10-21","18:00:00",""
"4130260","9.9568","0.0011","10.1815","0.0012","13.3346","0.0015","107.735","0.002","99.041","0.002","94.998","0.003","1258.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","C22 H25 F4 O2 Cl3","","","- C22 H25 Cl3 F4 O2 Ru -","- C22 H25 Cl3 F4 O2 Ru -","- C44 H50 Cl6 F8 O4 Ru2 -","2","1","","Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor","Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.","Journal of the American Chemical Society","2016","138","10","3596","3606","10.1021/jacs.6b01615","","","0.71073","MoKα","","0.0217","0.0195","","","0.0478","0.0489","","","","","","1.045","","","","has coordinates","240762","2020-10-21","18:00:00",""
"4130261","7.8369","0.0018","11.551","0.003","14.045","0.003","109.829","0.003","96.058","0.003","107.644","0.003","1108.6","0.5","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 Cl5 Fe O3 -","- C19 H21 Cl5 Fe O3 -","- C38 H42 Cl10 Fe2 O6 -","2","2","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0257","0.0228","","","0.0495","0.0506","","","","","","0.963","","","","has coordinates","240763","2020-10-21","18:00:00",""
"4130262","21.3275","0.001","5.0556","0.0002","18.7396","0.0011","90","","110.71","0.003","90","","1890","0.16","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H16 Br Cl5 O3 -","- C15 H16 Br Cl5 O3 -","- C60 H64 Br4 Cl20 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0237","0.0204","","","0.0446","0.0455","","","","","","1.048","","","","has coordinates","240764","2020-10-21","18:00:00",""
"4130263","7.2028","0.0003","28.4716","0.0011","11.0949","0.0005","90","","90.106","0.002","90","","2275.29","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Br5 Fe O3 -","- C19 H21 Br5 Fe O3 -","- C76 H84 Br20 Fe4 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0397","0.0301","","","0.067","0.0698","","","","","","1.11","","","","has coordinates","240765","2020-10-21","18:00:00",""
"4130264","21.9618","0.0012","5.2143","0.0003","18.6577","0.0011","90","","110.597","0.003","90","","2000","0.2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H16 Br6 O3 -","- C15 H16 Br6 O3 -","- C60 H64 Br24 O12 -","4","1","","Landry, Matthew L.; Hu, Dennis X.; McKenna, Grace M.; Burns, Noah Z.","Catalytic Enantioselective Dihalogenation and the Selective Synthesis of (-)-Deschloromytilipin A and (-)-Danicalipin A.","Journal of the American Chemical Society","2016","138","15","5150","5158","10.1021/jacs.6b01643","","","0.71073","MoKα","","0.0227","0.0197","","","0.0399","0.0407","","","","","","0.999","","","","has coordinates","240766","2020-10-21","18:00:00",""
"4130265","13.547","0.003","14.829","0.003","15.76","0.003","111.55","0.03","93.03","0.03","98.03","0.03","2897.1","1.3","173.15","","173.15","","","","","","","","","8","P 1","P 1","1","","","","- C127 H112 Au6 B2 F8 N2 O2 P6 -","- C127 H112 Au6 B2 F8 N2 O2 P6 -","- C127 H112 Au6 B2 F8 N2 O2 P6 -","1","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0436","0.0422","","","0.0925","0.0965","","","","","","1.052","","","","has coordinates,has disorder","240767","2020-10-21","18:00:00",""
"4130266","16.145","0.003","17.072","0.003","41.943","0.008","90","","90","","90","","11561","4","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C114 H100 Au6 B2 F8 N2 P6 -","- C114 H100 Au6 B2 F8 N2 P6 -","- C456 H400 Au24 B8 F32 N8 P24 -","4","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0915","0.0762","","","0.2","0.2188","","","","","","1.053","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130267","14.004","0.003","17.94","0.004","24.92","0.005","90","","105.84","0.03","90","","6023","2","173.15","","173.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C124 H102 Au6 B2 F8 N2 P6 -","- C124 H102 Au6 B2 F8 N2 P6 -","- C248 H204 Au12 B4 F16 N4 P12 -","2","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0747","0.071","","","0.1843","0.1907","","","","","","1.091","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130268","22.493","0.005","12.072","0.002","22.686","0.005","90","","103.45","0.03","90","","5991","2","173.15","","173.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C64 H58 Au3 B F4 N O0.5 P3 -","- C64 H58 Au3 B F4 N O0.5 P3 -","- C256 H232 Au12 B4 F16 N4 O2 P12 -","4","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0517","0.0498","","","0.117","0.1195","","","","","","1.056","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130269","59.465","0.012","21.294","0.004","47.96","0.01","90","","114.67","0.03","90","","55186","2","173.15","","173.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H96 Ag2 Au6 B4 F16 N8 P6 -","- C118 H96 Ag2 Au6 B4 F16 N8 P6 -","- C1888 H1536 Ag32 Au96 B64 F256 N128 P96 -","16","2","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.102","0.0814","","","0.2119","0.2287","","","","","","1.051","","","","has coordinates,has disorder","240767","2020-10-21","18:00:00",""
"4130270","28.1991","0.0007","28.1991","0.0007","28.1991","0.0007","90","","90","","90","","22423.6","1","100.01","0.1","100.01","0.1","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C40 H28 O16 Zr3 -","- C40 H28 O16 Zr3 -","- C240 H168 O96 Zr18 -","6","0.125","","Wang, Bin; Lv, Xiu-Liang; Feng, Dawei; Xie, Lin-Hua; Zhang, Jian; Li, Ming; Xie, Yabo; Li, Jian-Rong; Zhou, Hong-Cai","Highly Stable Zr(IV)-Based Metal-Organic Frameworks for the Detection and Removal of Antibiotics and Organic Explosives in Water.","Journal of the American Chemical Society","2016","138","19","6204","6216","10.1021/jacs.6b01663","","","1.54184","CuKα","","0.119","0.0958","","","0.2508","0.271","","","","","","1.077","","","","has coordinates,has disorder","240768","2020-10-21","18:00:00",""
"4130271","15.0822","0.0009","6.6857","0.0004","22.5771","0.0013","90","","93.476","0.002","90","","2272.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O5 S -","- C25 H26 N2 O5 S -","- C100 H104 N8 O20 S4 -","4","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.0655","0.0422","","","0.1086","0.1256","","","","","","1.023","","","","has coordinates","240769","2020-10-21","18:00:00",""
"4130272","12.9837","0.0006","9.529","0.0004","17.8751","0.0008","90","","108.758","0.002","90","","2094.07","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C96 H88 N8 O16 S4 -","4","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.0627","0.0383","","","0.0901","0.1036","","","","","","1.033","","","","has coordinates","240770","2020-10-21","18:00:00",""
"4130273","13.2698","0.0006","7.9678","0.0003","18.6432","0.0008","90","","102.755","0.001","90","","1922.52","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.0778","0.0578","","","0.1694","0.1896","","","","","","1.04","","","","has coordinates","240771","2020-10-21","18:00:00",""
"4130274","18.7913","0.0012","18.7913","0.0012","11.3257","0.0006","90","","90","","120","","3463.5","0.4","296","2","296","2","","","","","","","","5","P 64","P 64","172","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C144 H132 N12 O24 S6 -","6","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.1426","0.0514","","","0.0774","0.1031","","","","","","1.047","","","","has coordinates","240772","2020-10-21","18:00:00",""
"4130275","12.8","0.0003","4.5826","0.0002","28.8266","0.0011","90","","96.488","0.003","90","","1680.06","0.11","175","","175","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H28 N4 O2 -","- C14 H28 N4 O2 -","- C56 H112 N16 O8 -","4","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.78965","synchrotron","","0.1762","0.154","","0.2064","0.1687","0.1687","","","","","","1.0674","","","","has coordinates","240773","2020-10-21","18:00:00",""
"4130276","30.18","0.002","4.5911","0.0002","23.9057","0.0014","90","","107.482","0.006","90","","3159.4","0.3","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 N4 O1.5 -","- C14 H27 N4 O1.5 -","- C112 H216 N32 O12 -","8","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","1.5418","CuKα","","0.125","0.1115","","0.0916","0.0831","0.0831","","","","","","0.9692","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4130277","27.684","0.004","4.5906","0.0004","23.937","0.003","90","","113.395","0.015","90","","2792","0.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8.73 H16.73 N2.91 O1.09 -","- C8.72727 H16.7273 N2.90909 O1.09091 -","- C96 H184 N32 O12 -","11","2.75","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","1.5418","CuKα","","0.1019","0.0713","","0.202","0.1849","0.1849","","","","","","0.9258","","","","has coordinates","240775","2020-10-21","18:00:00",""
"4130278","11.2054","0.0008","5.6226","0.0007","17.6834","0.0014","90","","93.73","0.006","90","","1111.76","0.18","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N4 O -","- C10 H18 N4 O -","- C40 H72 N16 O4 -","4","1","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.71073","MoKα","","0.0889","0.077","","0.0831","0.0786","0.0786","","","","","","0.9704","","","","has coordinates","240776","2020-10-21","18:00:00",""
"4130279","12.766","0.004","4.5679","0.0011","28.756","0.007","90","","96.47","0.02","90","","1666.2","0.8","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H28 N4 O2 -","- C13.9983 H28.0034 N4 O2.0034 -","- C55.9932 H112.014 N16 O8.0136 -","4","2","","Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail","Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.","Journal of the American Chemical Society","2016","138","16","5403","5409","10.1021/jacs.6b01811","","","0.78965","synchrotron","","0.126","0.0922","","0.1509","0.1094","0.1094","","","","","","1.0948","","","","has coordinates,has disorder","240777","2020-10-21","18:00:00",""
"4130280","8.3","0.0005","20.7517","0.0013","15.9111","0.001","90","","107.372","0.002","90","","2615.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 F3 N4 O -","- C30 H29 F3 N4 O -","- C120 H116 F12 N16 O4 -","4","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.0768","0.0463","","","0.1025","0.1164","","","","","","1.018","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130281","12.2688","0.0004","14.9603","0.0004","17.3736","0.0005","90.797","0.002","91.86","0.001","96.201","0.001","3168.02","0.16","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C60 H55 F6 N8 O2 Y -","- C60 H55 F6 N8 O2 Y -","- C120 H110 F12 N16 O4 Y2 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.0867","0.055","","","0.1407","0.1505","","","","","","1.039","","","","has coordinates,has disorder","240778","2020-10-21","18:00:00",""
"4130282","11.8165","0.0018","13.72","0.002","22.645","0.004","73.837","0.006","84.453","0.006","64.67","0.006","3186.1","0.9","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C75 H70 F6 N8 O2 Sc -","- C75 H70 F6 N8 O2 Sc -","- C150 H140 F12 N16 O4 Sc2 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.1975","0.1009","","","0.2576","0.3056","","","","","","1.036","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130283","13.0597","0.0005","13.0509","0.0005","33.9213","0.0014","83.98","0.002","82.797","0.002","75.68","0.002","5541.3","0.4","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C125 H111 F12 N16 Y2 -","- C125 H111 F12 N16 Y2 -","- C250 H222 F24 N32 Y4 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.25","0.088","","","0.1761","0.2455","","","","","","0.944","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130284","12.0429","0.0007","13.815","0.0007","17.6182","0.001","75.629","0.002","79.249","0.002","88.76","0.002","2788.7","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H61 F6 N8 O Sc -","- C62 H61 F6 N8 O Sc -","- C124 H122 F12 N16 O2 Sc2 -","2","1","","Radkov, Vasily; Roisnel, Thierry; Trifonov, Alexander; Carpentier, Jean-François; Kirillov, Evgueni","Tandem C(sp(2))-OMe Activation/C(sp(2))-C(sp(2)) Coupling in Early Transition-Metal Complexes: Aromatic C-O Activation beyond Late Transition Metals.","Journal of the American Chemical Society","2016","138","13","4350","4353","10.1021/jacs.6b01877","","x-ray","0.71073","MoKα","","0.0688","0.0484","","","0.1161","0.1274","","","","","","1.049","","","","has coordinates","240778","2020-10-21","18:00:00",""
"4130285","7.127","0.002","7.465","0.002","11.374","0.004","96.247","0.004","90.085","0.004","100.706","0.004","590.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 Cl2 O4 -","- C29 H18 Cl2 O4 -","- C29 H18 Cl2 O4 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0518","0.0466","","","0.1224","0.1268","","","","","","1.044","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130286","8.6953","0.0014","8.849","0.0014","20.955","0.003","83.764","0.002","81.19","0.002","89.372","0.002","1583.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 O6 -","- C36 H36 O6 -","- C72 H72 O12 -","2","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1194","0.0673","","","0.1776","0.2063","","","","","","1.034","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130287","16.538","0.01","6.995","0.004","22.907","0.014","90","","106.113","0.006","90","","2546","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 O5 -","- C31 H22 O5 -","- C124 H88 O20 -","4","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0741","0.0458","","","0.105","0.1172","","","","","","1.028","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130288","9.613","0.005","13.191","0.007","13.847","0.007","70.53","0.006","89.281","0.006","79.425","0.006","1625.1","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C76 H72 O17 -","- C76 H72 O17 -","- C76 H72 O17 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1067","0.0585","","","0.1411","0.1677","","","","","","1.013","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130289","7.8633","0.0011","12.4758","0.0018","14.475","0.002","87.013","0.002","79.31","0.002","78.04","0.002","1364.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H38 Cl6 O12 -","- C59 H38 Cl6 O12 -","- C59 H38 Cl6 O12 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1065","0.077","","","0.191","0.2109","","","","","","1.114","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130290","8.0494","0.0017","12.367","0.003","14.371","0.003","87.308","0.002","76.651","0.002","77.2","0.003","1357.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H50 O19 -","- C65 H50 O19 -","- C65 H50 O19 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0914","0.0662","","","0.1765","0.1938","","","","","","1.086","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130291","9.2751","0.0014","11.8804","0.0018","13.115","0.002","103.213","0.002","104.214","0.002","112.564","0.002","1206.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H28 I4 O8 -","- C56 H28 I4 O8 -","- C56 H28 I4 O8 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0294","0.0232","","","0.0542","0.057","","","","","","1.026","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130292","38.92","0.02","4.918","0.003","38.53","0.02","90","","101.655","0.012","90","","7223","7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H46 N4 O14 -","- C70 H46 N4 O14 -","- C280 H184 N16 O56 -","4","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1166","0.0729","","","0.1852","0.2056","","","","","","0.962","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130293","8.896","0.003","9.089","0.003","10.731","0.004","88.821","0.004","89.682","0.005","85.649","0.004","865","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 N4 O6 -","- C42 H30 N4 O6 -","- C42 H30 N4 O6 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0432","0.0381","","","0.0982","0.1019","","","","","","1.018","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130294","21.686","0.009","4.784","0.002","27.556","0.013","90","","102.913","0.01","90","","2787","2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H44 N4 O8 -","- C60 H44 N4 O8 -","- C120 H88 N8 O16 -","2","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0994","0.0754","","","0.1932","0.2067","","","","","","1.04","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130295","9.9571","0.001","17.4414","0.0019","42.952","0.005","90","","90","","90","","7459.3","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C68 H60 N4 O10 -","- C68 H60 N4 O10 -","- C272 H240 N16 O40 -","4","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0935","0.0718","","","0.2008","0.2147","","","","","","1.037","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130296","10.0954","0.0013","16.195","0.002","16.93","0.002","105.474","0.002","95.831","0.002","91.576","0.002","2649.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H68 N4 O8 -","- C56 H68 N4 O8 -","- C112 H136 N8 O16 -","2","1","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1279","0.0764","","","0.1951","0.2157","","","","","","1.094","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130297","25.112","0.007","25.112","0.007","8.489","0.003","90","","90","","90","","5353","3","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C56 H36 N4 O8 -","- C56 H36 N4 O8 -","- C224 H144 N16 O32 -","4","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.1078","0.0637","","","0.1556","0.1738","","","","","","1.073","","","","has coordinates,has disorder","240779","2020-10-21","18:00:00",""
"4130298","10.2111","0.0008","10.4183","0.0008","16.01","0.0012","78.912","0.001","83.712","0.001","72.751","0.001","1593.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 N4 O16 -","- C72 H68 N4 O16 -","- C72 H68 N4 O16 -","1","0.5","","Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves","Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds.","Journal of the American Chemical Society","2016","138","18","5939","5956","10.1021/jacs.6b01939","","","0.71073","MoKα","","0.0499","0.0395","","","0.099","0.1058","","","","","","1.027","","","","has coordinates","240779","2020-10-21","18:00:00",""
"4130299","12.1652","0.0003","12.9516","0.0003","15.5693","0.0003","73.1952","0.0012","74.4114","0.0014","77.2486","0.0012","2234.56","0.09","93","","93","","","","","","","","","6","P -1","-P 1","2","","[Cu(PPh2Pr)2dmp]2(PF6)2","","- C96 H96 Cu2 F12 N8 P6 -","- C96 H96 Cu2 F12 N8 P6 -","- C96 H96 Cu2 F12 N8 P6 -","1","0.5","","Takeda, Hiroyuki; Ohashi, Kenji; Sekine, Akiko; Ishitani, Osamu","Photocatalytic CO2 Reduction Using Cu(I) Photosensitizers with a Fe(II) Catalyst.","Journal of the American Chemical Society","2016","138","13","4354","4357","10.1021/jacs.6b01970","","","1.54184","CuKα","","0.0952","0.0685","","","0.1533","0.1661","","","","","","1.002","","","","has coordinates,has disorder","240781","2020-10-21","18:00:00",""
"4130300","9.6839","0.00018","15.3663","0.0003","27.7105","0.0005","90","","96.276","0.0007","90","","4098.77","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Cu(dmp)(PPh2Pr)2(PF6)]","","- C44 H46 Cu F6 N2 P3 -","- C44 H46 Cu F6 N2 P3 -","- C176 H184 Cu4 F24 N8 P12 -","4","1","","Takeda, Hiroyuki; Ohashi, Kenji; Sekine, Akiko; Ishitani, Osamu","Photocatalytic CO2 Reduction Using Cu(I) Photosensitizers with a Fe(II) Catalyst.","Journal of the American Chemical Society","2016","138","13","4354","4357","10.1021/jacs.6b01970","","","1.54184","CuKα","","0.033","0.0311","","","0.0811","0.0825","","","","","","1.083","","","","has coordinates","240781","2020-10-21","18:00:00",""
"4130301","22.9556","0.0013","22.9556","0.0013","15.883","0.002","90","","90","","120","","7248.4","1.1","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C24 H6 O18 Zn6 -","- C24 H6 O18 Zn6 -","- C144 H36 O108 Zn36 -","6","0.166667","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.144","0.1221","","","0.2445","0.2588","","","","","","0.915","","","","has coordinates","240782","2020-10-21","18:00:00",""
"4130302","22.9511","0.0008","22.9511","0.0008","15.8965","0.0011","90","","90","","120","","7251.7","0.6","120","2","120","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C27 H6 O24 Zn6 -","- C27 H6 O24 Zn6 -","- C162 H36 O144 Zn36 -","6","0.166667","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.1812","0.1631","","","0.3024","0.3099","","","","","","1.282","","","","has coordinates","240783","2020-10-21","18:00:00",""
"4130303","22.917","0.0004","22.917","0.0004","15.9024","0.0005","90","","90","","120","","7232.8","0.3","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C12 H3 O10.5 Zn3 -","- C12 H3 O10.5 Zn3 -","- C144 H36 O126 Zn36 -","12","0.333333","","Luo, Feng; Yan, Changsheng; Dang, Lilong; Krishna, Rajamani; Zhou, Wei; Wu, Hui; Dong, Xinglong; Han, Yu; Hu, Tong-Liang; O'Keeffe, Michael; Wang, Lingling; Luo, Mingbiao; Lin, Rui-Biao; Chen, Banglin","UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation.","Journal of the American Chemical Society","2016","138","17","5678","5684","10.1021/jacs.6b02030","","","0.71073","MoKα","","0.0795","0.0772","","","0.1717","0.1727","","","","","","1.215","","","","has coordinates","240784","2020-10-21","18:00:00",""
"4130304","6.2267","0.0004","6.7164","0.0005","13.4269","0.0009","77.552","0.003","80.072","0.003","68.189","0.002","506.43","0.06","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C23 H38 O3 -","- C23 H38 O3 -","- C23 H38 O3 -","1","1","","Obradors, Carla; Martinez, Ruben M.; Shenvi, Ryan A.","Ph(i-PrO)SiH2: An Exceptional Reductant for Metal-Catalyzed Hydrogen Atom Transfers.","Journal of the American Chemical Society","2016","138","14","4962","4971","10.1021/jacs.6b02032","","x-ray","1.54178","CuKα","","0.0309","0.0309","","","0.0841","0.0842","","","","","","1.06","","","","has coordinates","240785","2020-10-21","18:00:00",""
"4130305","6.7858","0.0009","7.7709","0.001","8.1797","0.001","112.386","0.006","91.911","0.006","96.499","0.009","394.89","0.09","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C19 H21 N O3 -","1","1","","Hayashi, Masaki; Bachman, Shoshana; Hashimoto, Satoshi; Eichman, Chad C.; Stoltz, Brian M.","Ni-Catalyzed Enantioselective C-Acylation of α-Substituted Lactams.","Journal of the American Chemical Society","2016","138","29","8997","9000","10.1021/jacs.6b02120","","","1.54178","CuKα","","0.0296","0.0285","","","0.0697","0.0703","","","","","","1.092","","","","has coordinates","240786","2020-10-21","18:00:00",""
"4130306","14.397","0.004","14.582","0.004","14.95","0.004","77.601","0.009","71.245","0.009","79.726","0.009","2882.2","1.4","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C67 H72 Cl2 N4 O4 Zn -","- C67 H72 Cl2 N4 O4 Zn -","- C134 H144 Cl4 N8 O8 Zn2 -","2","1","","Sakamoto, Ryota; Iwashima, Toshiki; Kögel, Julius F; Kusaka, Shinpei; Tsuchiya, Mizuho; Kitagawa, Yasutaka; Nishihara, Hiroshi","Dissymmetric Bis(dipyrrinato)zinc(II) Complexes: Rich Variety and Bright Red to Near-Infrared Luminescence with a Large Pseudo-Stokes Shift.","Journal of the American Chemical Society","2016","138","17","5666","5677","10.1021/jacs.6b02128","","","0.7107","MoKα","","","0.0615","","","","0.1649","","","","","","1.068","","","","has coordinates","240787","2020-10-21","18:00:00",""
"4130307","11.873","0.005","13.492","0.005","18.85","0.007","94.685","0.006","105.074","0.004","96.671","0.004","2876.2","1.9","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H70 N4 O Zn -","- C73 H66 N4 O Zn -","- C146 H132 N8 O2 Zn2 -","2","1","","Sakamoto, Ryota; Iwashima, Toshiki; Kögel, Julius F; Kusaka, Shinpei; Tsuchiya, Mizuho; Kitagawa, Yasutaka; Nishihara, Hiroshi","Dissymmetric Bis(dipyrrinato)zinc(II) Complexes: Rich Variety and Bright Red to Near-Infrared Luminescence with a Large Pseudo-Stokes Shift.","Journal of the American Chemical Society","2016","138","17","5666","5677","10.1021/jacs.6b02128","","","0.71075","MoKα","","","0.0697","","","","0.203","","","","","","1.071","","","","has coordinates","240788","2020-10-21","18:00:00",""
"4130308","7.7585","0.0006","9.1039","0.0007","26.2256","0.0017","90","","90","","90","","1852.4","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Liu, Wen-Bo; Okamoto, Noriko; Alexy, Eric J.; Hong, Allen Y.; Tran, Kristy; Stoltz, Brian M.","Enantioselective γ-Alkylation of α,β-Unsaturated Malonates and Ketoesters by a Sequential Ir-Catalyzed Asymmetric Allylic Alkylation/Cope Rearrangement.","Journal of the American Chemical Society","2016","138","16","5234","5237","10.1021/jacs.6b02153","","","1.54178","CuKα","","0.0418","0.0402","","","0.1023","0.1032","","","","","","1.078","","","","has coordinates","240789","2020-10-21","18:00:00",""
"4130309","6.1787","0.0008","9.0018","0.0011","29.47","0.003","90","","90","","90","","1639.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Liu, Wen-Bo; Okamoto, Noriko; Alexy, Eric J.; Hong, Allen Y.; Tran, Kristy; Stoltz, Brian M.","Enantioselective γ-Alkylation of α,β-Unsaturated Malonates and Ketoesters by a Sequential Ir-Catalyzed Asymmetric Allylic Alkylation/Cope Rearrangement.","Journal of the American Chemical Society","2016","138","16","5234","5237","10.1021/jacs.6b02153","","","1.54178","CuKα","","0.0276","0.0269","","","0.0674","0.068","","","","","","1.065","","","","has coordinates,has disorder","240790","2020-10-21","18:00:00",""
"4130310","11.605","0.014","16.245","0.018","20.204","0.019","90","","97.184","0.007","90","","3779","7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl2 Fe N25 O8 -","- C26 H27 Cl2 Fe N25 O8 -","- C104 H108 Cl8 Fe4 N100 O32 -","4","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.0767","0.046","","","0.0993","0.1133","","","","","","1.024","","","","has coordinates,has disorder","240791","2020-10-21","18:00:00",""
"4130311","21.211","0.004","8.6644","0.0016","21.347","0.004","90","","115.966","0.002","90","","3527.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl2 Fe N24 O8 -","- C21 H24 Cl2 Fe N24 O8 -","- C84 H96 Cl8 Fe4 N96 O32 -","4","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.0632","0.0515","","","0.1324","0.139","","","","","","1.116","","","","has coordinates,has disorder","240791","2020-10-21","18:00:00",""
"4130312","19.1","0.05","13.96","0.04","16.03","0.06","90","","109.165","0.006","90","","4037","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl2 Fe N24 O9 -","- C27 H38 Cl2 Fe N24 O9 -","- C108 H152 Cl8 Fe4 N96 O36 -","4","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.0656","0.0438","","","0.1017","0.1124","","","","","","1.05","","","","has coordinates","240791","2020-10-21","18:00:00",""
"4130313","12.941","0.01","15.79","0.012","16.28","0.013","115.955","0.007","100.085","0.007","94.838","0.007","2896","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H62 Cl2 Fe N32 O13 -","- C39 H62 Cl2 Fe N32 O13 -","- C78 H124 Cl4 Fe2 N64 O26 -","2","1","","Myers, Thomas W.; Bjorgaard, Josiah A.; Brown, Kathryn E.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Tretiak, Sergei; Veauthier, Jacqueline M.","Energetic Chromophores: Low-Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes.","Journal of the American Chemical Society","2016","138","13","4685","4692","10.1021/jacs.6b02155","","","0.71073","MoKα","","0.2025","0.0835","","","0.2004","0.2664","","","","","","0.99","","","","has coordinates","240791","2020-10-21","18:00:00",""
"4130314","5.4814","0.0012","8.5363","0.0017","10.1397","0.0017","71.243","0.016","75.321","0.016","76.523","0.018","428.59","0.15","180.1","0.2","180.1","0.2","","","","","","","","4","P 1","P 1","1","","","","- C10 H8 F2 O2 -","- C10 H8 F2 O2 -","- C20 H16 F4 O4 -","2","2","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.5418","CuKα","","0.044","0.0432","","","0.1188","0.1205","","","","","","1.074","","","","has coordinates","240792","2020-10-21","18:00:00",""
"4130315","4.7621","0.0002","8.4156","0.0004","22.4052","0.0012","90","","90","","90","","897.91","0.07","181","2","181","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.5418","CuKα","","0.0454","0.0425","","","0.1172","0.12","","","","","","1.069","","","","has coordinates","240793","2020-10-21","18:00:00",""
"4130316","7.43203","0.00005","8.92309","0.00005","21.25373","0.00013","90","","90","","90","","1409.48","0.015","180","0.14","180","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.54184","CuKα","","0.0263","0.0254","","","0.0639","0.0646","","","","","","1.079","","","","has coordinates","240794","2020-10-21","18:00:00",""
"4130317","16.348","0.009","16.348","0.009","14.922","0.012","90","","90","","120","","3454","4","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C54 H72 Co3 O30 P6 S3 -","- C48 H54 Co3 O28.119 P6 S1.506 -","- C96 H108 Co6 O56.238 P12 S3.012 -","2","0.166667","","Pili, Simona; Argent, Stephen P.; Morris, Christopher G.; Rought, Peter; García-Sakai, Victoria; Silverwood, Ian P.; Easun, Timothy L.; Li, Ming; Warren, Mark R.; Murray, Claire A.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Proton Conduction in a Phosphonate-Based Metal-Organic Framework Mediated by Intrinsic ""Free Diffusion inside a Sphere"".","Journal of the American Chemical Society","2016","138","20","6352","6355","10.1021/jacs.6b02194","","x-ray","0.6889","","","0.1141","0.0864","","","0.2494","0.2803","","","","","","1.086","","","","has coordinates,has disorder","240795","2020-10-21","18:00:00",""
"4130318","16.323","0.006","16.323","0.006","14.933","0.008","90","","90","","120","","3446","3","120","2","120","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C54 H72 N0 Ni3 O30 P6 S3 -","- C49.902 H35.706 Ni3 O29.856 P6 S1.263 -","- C99.804 H71.412 Ni6 O59.712 P12 S2.526 -","2","0.166667","","Pili, Simona; Argent, Stephen P.; Morris, Christopher G.; Rought, Peter; García-Sakai, Victoria; Silverwood, Ian P.; Easun, Timothy L.; Li, Ming; Warren, Mark R.; Murray, Claire A.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Proton Conduction in a Phosphonate-Based Metal-Organic Framework Mediated by Intrinsic ""Free Diffusion inside a Sphere"".","Journal of the American Chemical Society","2016","138","20","6352","6355","10.1021/jacs.6b02194","","x-ray","0.6889","","","0.1068","0.0839","","","0.2414","0.2629","","","","","","0.967","","","","has coordinates,has disorder","240796","2020-10-21","18:00:00",""
"4130319","15.8435","0.0007","19.3722","0.0009","20.9937","0.001","94.124","0.003","90.49","0.003","105.769","0.003","6182.3","0.5","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C78.5 H72 -","- C66 H42 -","- C264 H168 -","4","2","","Golder, Matthew R.; Colwell, Curtis E.; Wong, Bryan M.; Zakharov, Lev N.; Zhen, Jingxin; Jasti, Ramesh","Iterative Reductive Aromatization/Ring-Closing Metathesis Strategy toward the Synthesis of Strained Aromatic Belts.","Journal of the American Chemical Society","2016","138","20","6577","6582","10.1021/jacs.6b02240","","","1.54178","CuKα","","0.1678","0.0807","","","0.2119","0.2404","","","","","","1.009","","","","has coordinates,has disorder","240797","2020-10-21","18:00:00",""
"4130320","13.3012","0.0007","9.9339","0.0005","17.0395","0.0006","90","","110.381","0.003","90","","2110.53","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 O2 -","- C60 H36 O2 -","- C120 H72 O4 -","2","0.5","","Golder, Matthew R.; Colwell, Curtis E.; Wong, Bryan M.; Zakharov, Lev N.; Zhen, Jingxin; Jasti, Ramesh","Iterative Reductive Aromatization/Ring-Closing Metathesis Strategy toward the Synthesis of Strained Aromatic Belts.","Journal of the American Chemical Society","2016","138","20","6577","6582","10.1021/jacs.6b02240","","","1.54178","CuKα","","0.133","0.1024","","","0.3416","0.41","","","","","","1.015","","","","has coordinates","240798","2020-10-21","18:00:00",""
"4130321","10.2511","0.0014","12.0614","0.0017","16.84","0.002","90","","90","","90","","2082.1","0.5","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Rh -","- C28 H29 Rh -","- C112 H116 Rh4 -","4","1","","Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li","Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes.","Journal of the American Chemical Society","2016","138","16","5242","5245","10.1021/jacs.6b02302","","","0.71073","MoKα","","0.0666","0.0452","","","0.0877","0.096","","","","","","1.025","","","","has coordinates","240799","2020-10-21","18:00:00",""
"4130322","7.156","0.003","14.439","0.006","23.483","0.009","90","","90","","90","","2426.4","1.7","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 O2 Rh -","- C30 H33 O2 Rh -","- C120 H132 O8 Rh4 -","4","1","","Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li","Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes.","Journal of the American Chemical Society","2016","138","16","5242","5245","10.1021/jacs.6b02302","","","0.71073","MoKα","","0.0999","0.0463","","","0.0838","0.0996","","","","","","0.982","","","","has coordinates","240800","2020-10-21","18:00:00",""
"4130323","6.1037","0.001","10.0273","0.0014","14.3207","0.0019","109.973","0.011","91.761","0.012","90.472","0.012","823.2","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H50 B2 -","- C40 H50 B2 -","- C40 H50 B2 -","1","0.5","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0766","0.0656","","","0.1775","0.1872","","","","","","1.041","","","","has coordinates,has disorder","240801","2020-10-21","18:00:00",""
"4130324","23.6888","0.0017","14.3688","0.0007","29.305","0.002","90","","100.858","0.006","90","","9796.2","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H76 B2 Li2 O3 -","- C55.5 H76 B2 Li2 O3 -","- C444 H608 B16 Li16 O24 -","8","2","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.215","0.0816","","","0.1486","0.1912","","","","","","0.876","","","","has coordinates,has disorder","265214","2021-05-14","09:19:07",""
"4130325","26.7566","0.001","10.14","0.0003","20.7717","0.0008","90","","90","","90","","5635.6","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C60 H90 B2 Li2 O5 -","- C60 H90 B2 Li2 O5 -","- C240 H360 B8 Li8 O20 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0733","0.058","","","0.1413","0.1494","","","","","","1.021","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130326","28.292","0.003","10.6612","0.0008","30.648","0.003","90","","113.952","0.007","90","","8448.2","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H124 B4 Li4 O3 -","- C92 H124 B4 Li4 O3 -","- C368 H496 B16 Li16 O12 -","4","0.5","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.1899","0.0799","","","0.1555","0.183","","","","","","1.152","","","","has coordinates","265214","2021-05-14","09:19:08",""
"4130327","15.5756","0.0007","21.2523","0.001","17.6877","0.0008","90","","112.775","0.004","90","","5398.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 B2 K2 O4 -","- C56 H82 B2 K2 O4 -","- C224 H328 B8 K8 O16 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0812","0.0505","","","0.1262","0.1398","","","","","","0.966","","","","has coordinates","265214","2021-05-14","09:19:08",""
"4130328","13.6225","0.001","16.3106","0.0008","19.6114","0.0011","90","","90","","90","","4357.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H65 B2 K O2 -","- C48 H65 B2 K O2 -","- C192 H260 B8 K4 O8 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.078","0.0668","","","0.182","0.1907","","","","","","1.038","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130329","13.834","0.0011","19.2446","0.0012","21.4964","0.0017","90","","103.878","0.006","90","","5555.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 B2 K2 O4 -","- C56 H84 B2 K2 O4 -","- C224 H336 B8 K8 O16 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.0805","0.0543","","","0.1369","0.1483","","","","","","1.009","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130330","21.448","0.002","7.166","0.0007","12.5448","0.0013","90","","98.521","0.002","90","","1906.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B2 F2 O4 -","- C18 H26 B2 F2 O4 -","- C72 H104 B8 F8 O16 -","4","0.5","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0348","0.0335","","","0.0836","0.0846","","","","","","1.035","","","","has coordinates","240802","2020-10-21","18:00:00",""
"4130331","6.518","0.0006","10.4277","0.0008","14.3711","0.0012","90","","97.307","0.004","90","","968.84","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 B2 F3 O4 -","- C18 H25 B2 F3 O4 -","- C36 H50 B4 F6 O8 -","2","0.5","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0442","0.0397","","","0.1158","0.1195","","","","","","1.09","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130332","6.848","0.0014","45.132","0.009","9.3766","0.0015","90","","99.586","0.007","90","","2857.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B2 F2 O4 -","- C18 H26 B2 F2 O4 -","- C108 H156 B12 F12 O24 -","6","1.5","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0773","0.0599","","","0.1224","0.1294","","","","","","1.14","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130333","19.9415","0.0005","18.3839","0.0005","22.7755","0.0006","90","","90","","90","","8349.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H50 F4 N4 Ni -","- C48 H50 F4 N4 Ni -","- C384 H400 F32 N32 Ni8 -","8","1","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.073","0.0454","","","0.1092","0.1246","","","","","","1.028","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130334","10.652","0.005","14.778","0.005","14.855","0.004","92.736","0.019","101.401","0.013","91.53","0.02","2288.1","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 D6 F4 N4 Ni -","- C54 H50 D6 F4 N4 Ni -","- C108 H100 D12 F8 N8 Ni2 -","2","1","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.0309","0.0275","","","0.0684","0.0703","","","","","","1.031","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130335","9.5135","0.0002","13.842","0.0003","20.1911","0.0005","106.146","0.002","93.216","0.002","107.792","0.002","2402.75","0.1","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H40.11 Cl5 Cu2 F12 N6.89 O2.78 Sb2 -","- C37 H40.114 Cl5 Cu2 F12 N6.886 O2.772 Sb2 -","- C74 H80.228 Cl10 Cu4 F24 N13.772 O5.544 Sb4 -","2","1","","Cao, Rui; Saracini, Claudio; Ginsbach, Jake W.; Kieber-Emmons, Matthew T; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy.","Journal of the American Chemical Society","2016","138","22","7055","7066","10.1021/jacs.6b02404","","","0.71073","MoKα","","0.0339","0.0264","","","0.0636","0.0665","","","","","","1.048","","","","has coordinates,has disorder","240803","2020-10-21","18:00:00",""
"4130336","13.5404","0.0004","11.2264","0.0004","26.4611","0.0011","90","","90.054","0.003","90","","4022.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cu2 F12 N6 O2 Sb2 -","- C35 H38 Cu2 F12 N6 O2 Sb2 -","- C140 H152 Cu8 F48 N24 O8 Sb8 -","4","1","","Cao, Rui; Saracini, Claudio; Ginsbach, Jake W.; Kieber-Emmons, Matthew T; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy.","Journal of the American Chemical Society","2016","138","22","7055","7066","10.1021/jacs.6b02404","","","0.71073","MoKα","","0.041","0.0377","","","0.0892","0.0908","","","","","","1.04","","","","has coordinates","240804","2020-10-21","18:00:00",""
"4130337","10.81274","0.00018","11.4439","0.0002","19.1353","0.0003","78.4517","0.0014","78.6462","0.0014","73.1423","0.0015","2195.71","0.07","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H44 Cu2 F12 N7 O2 Sb2 -","- C38 H44 Cu2 F12 N7 O2 Sb2 -","- C76 H88 Cu4 F24 N14 O4 Sb4 -","2","1","","Cao, Rui; Saracini, Claudio; Ginsbach, Jake W.; Kieber-Emmons, Matthew T; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Peroxo and Superoxo Moieties Bound to Copper Ion: Electron-Transfer Equilibrium with a Small Reorganization Energy.","Journal of the American Chemical Society","2016","138","22","7055","7066","10.1021/jacs.6b02404","","","0.71073","MoKα","","0.0351","0.0276","","","0.0658","0.0682","","","","","","1.055","","","","has coordinates,has disorder","240805","2020-10-21","18:00:00",""
"4130338","14.2268","0.0006","14.176","0.0006","14.358","0.0006","90","","118.951","0.002","90","","2533.84","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Br2 N3 Ni -","- C25 H37 Br2 N3 Ni -","- C100 H148 Br8 N12 Ni4 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.0557","0.0344","","","0.073","0.083","","","","","","1","","","","has coordinates","240806","2020-10-21","18:00:00",""
"4130339","13.2127","0.001","14.1765","0.0011","16.9635","0.0012","90","","101.342","0.005","90","","3115.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Br2 N3 Ni O2 -","- C31 H49 Br2 N3 Ni O2 -","- C124 H196 Br8 N12 Ni4 O8 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.0524","0.0344","","","0.0671","0.0745","","","","","","1.082","","","","has coordinates","240806","2020-10-21","18:00:00",""
"4130340","17.2739","0.0009","14.0039","0.0007","13.5299","0.0007","90","","109.966","0.003","90","","3076.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Br F6 N4 Ni P -","- C27 H39 Br F6 N4 Ni P -","- C108 H156 Br4 F24 N16 Ni4 P4 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.065","0.0439","","","0.0961","0.1045","","","","","","1.027","","","","has coordinates,has disorder","240806","2020-10-21","18:00:00",""
"4130341","14.908","0.0006","14.033","0.0006","19.26","0.0008","90","","102.869","0.0017","90","","3928.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 F12 N6 Ni Sb2 -","- C31 H45 F12 N6 Ni Sb2 -","- C124 H180 F48 N24 Ni4 Sb8 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.0605","0.0375","","","0.0727","0.0815","","","","","","1.012","","","","has coordinates,has disorder","240806","2020-10-21","18:00:00",""
"4130342","15.159","0.003","25.006","0.005","17.605","0.003","90","","109.14","0.011","90","","6305","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H101 F4 N6 Ni2 O7 -","- C60 H100.45 F4 N6 Ni2 O7 -","- C240 H401.8 F16 N24 Ni8 O28 -","4","1","","Zhou, Wen; Zheng, Shuai; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Aromatic Cyanoalkylation through Double C-H Activation Mediated by Ni(III).","Journal of the American Chemical Society","2016","138","18","5777","5780","10.1021/jacs.6b02405","","","0.71073","MoKα","","0.115","0.0589","","","0.1474","0.1762","","","","","","1.017","","","","has coordinates,has disorder","240806","2020-10-21","18:00:00",""
"4130343","11.4678","0.0009","16.8911","0.0014","13.8634","0.0011","90","","91.155","0.002","90","","2684.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SVK1_81","","","- C19 H24 F18 Mo O5 -","- C19 H24 F18 Mo O5 -","- C76 H96 F72 Mo4 O20 -","4","1","","von Kugelgen, Stephen; Bellone, Donatela E.; Cloke, Ryan R.; Perkins, Wade S.; Fischer, Felix R.","Initiator Control of Conjugated Polymer Topology in Ring-Opening Alkyne Metathesis Polymerization.","Journal of the American Chemical Society","2016","138","19","6234","6239","10.1021/jacs.6b02422","","","0.71073","MoKα","","0.0316","0.0262","","","0.0556","0.0601","","","","","","1.179","","","","has coordinates","240807","2020-10-21","18:00:00",""
"4130344","29.007","0.003","35.476","0.004","44.206","0.004","100.828","0.004","96.645","0.005","96.07","0.005","44000","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C505 H366 B120 F180 Fe10 N71 O30 -","- C505 H366 B77.9976 F137.998 Fe10 N71 O30 -","- C1010 H732 B155.995 F275.995 Fe20 N142 O60 -","2","1","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.2321","0.1794","","","0.44","0.4719","","","","","","1.286","","","","has coordinates,has disorder","240808","2020-10-21","18:00:00",""
"4130345","28.314","0.0013","28.314","0.0013","35.3911","0.0018","90","","90","","90","","28372","2","100","2","100","2","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","","- C384 H264 Cl2 F132 Fe8 N48 O32 P14 -","- C384 H264 Cl2 F105.6 Fe8 N48 O32 P9.6 -","- C768 H528 Cl4 F211.2 Fe16 N96 O64 P19.2 -","2","0.125","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.1389","0.0971","","","0.2693","0.3178","","","","","","1.074","","","","has coordinates,has disorder","240809","2020-10-21","18:00:00",""
"4130346","38.41","0.006","38.41","0.006","38.41","0.006","90","","90","","90","","56667","15","100","2","100","2","","","","","","","","7","P 4 3 2","P 4 2 3","207","","","","- C384 H264 F144 Fe8 N48 O24 P16 -","- C384 H264 F96 Fe8 N48 O24 P8 -","- C1152 H792 F288 Fe24 N144 O72 P24 -","3","0.125","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.2193","0.2083","","","0.4624","0.4721","","","","","","1.541","","","","has coordinates,has disorder","240809","2020-10-21","18:00:00",""
"4130347","31.49","0.003","32.933","0.003","41.016","0.004","86.685","0.005","80.468","0.004","65.452","0.004","38154","6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C509 H321 F213 Fe10 N74 O2 P20 S -","- C509 H315 F199.5 Fe10 N74 O2 P17.75 S -","- C1018 H630 F399 Fe20 N148 O4 P35.5 S2 -","2","1","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.2877","0.2118","","","0.502","0.5527","","","","","","1.517","","","","has coordinates,has disorder","240810","2020-10-21","18:00:00",""
"4130348","9.8418","0.0005","11.238","0.0006","12.2846","0.0007","101.925","0.001","109.904","0.001","94.519","0.001","1233.44","0.12","100","2","100","2","","","","","","","","5","P 1","P 1","1","YX-3-217B","hartwig106","","- C21 H30 B Cl3 O4 -","- C21 H30 B Cl3 O4 -","- C42 H60 B2 Cl6 O8 -","2","2","","Xi, Yumeng; Hartwig, John F.","Diverse Asymmetric Hydrofunctionalization of Aliphatic Internal Alkenes through Catalytic Regioselective Hydroboration.","Journal of the American Chemical Society","2016","138","21","6703","6706","10.1021/jacs.6b02478","","","0.71073","MoKα","","0.0406","0.0371","","","0.092","0.0952","","","","","","1.047","","","","has coordinates","240811","2020-10-21","18:00:00",""
"4130349","9.1358","0.0002","9.1358","0.0002","21.2002","0.0006","90","","90","","120","","1532.37","0.06","100","2","99.95","","","","","","","","","6","P 31","P 31","144","","","","- C20 H16 Mn N4 O5 S -","- C20 H16 Mn N4 O5 S -","- C60 H48 Mn3 N12 O15 S3 -","3","1","","Jeon, Ie-Rang; Sun, Lei; Negru, Bogdan; Van Duyne, Richard P.; Dincă, Mircea; Harris, T. David","Solid-State Redox Switching of Magnetic Exchange and Electronic Conductivity in a Benzoquinoid-Bridged Mn(II) Chain Compound.","Journal of the American Chemical Society","2016","138","20","6583","6590","10.1021/jacs.6b02485","","","1.54178","CuKα","","0.0244","0.0242","","","0.0614","0.0615","","","","","","1.029","","","","has coordinates","240812","2020-10-21","18:00:00",""
"4130350","9.9347","0.0005","10.2489","0.0006","10.6994","0.0005","63.651","0.005","67.294","0.005","70.262","0.005","882.14","0.09","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 O S -","- C23 H16 O S -","- C46 H32 O2 S2 -","2","1","","Sun, Fenggang; Li, Miao; He, Congfa; Wang, Bin; Li, Bin; Sui, Xianwei; Gu, Zhenhua","Cleavage of the C(O)-S Bond of Thioesters by Palladium/Norbornene/Copper Cooperative Catalysis: An Efficient Synthesis of 2-(Arylthio)aryl Ketones.","Journal of the American Chemical Society","2016","138","24","7456","7459","10.1021/jacs.6b02495","","","1.54184","CuKα","","0.0383","0.0372","","","0.1014","0.1023","","","","","","1.054","","","","has coordinates","240813","2020-10-21","18:00:00",""
"4130351","6.8007","0.0006","10.8026","0.0013","14.4909","0.0013","69.445","0.01","88.471","0.008","82.126","0.009","987.14","0.19","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C44 H50 N2 O8 -","2","1","","Yu, Xuerong; Su, Fan; Liu, Chang; Yuan, Haosen; Zhao, Shan; Zhou, Zhiyao; Quan, Tianfei; Luo, Tuoping","Enantioselective Total Syntheses of Various Amphilectane and Serrulatane Diterpenoids via Cope Rearrangements.","Journal of the American Chemical Society","2016","138","19","6261","6270","10.1021/jacs.6b02624","","","1.5418","CuKα","","0.1163","0.0738","","","0.1958","0.2342","","","","","","1.02","","","","has coordinates","240814","2020-10-21","18:00:00",""
"4130352","8.7136","0.0006","17.3862","0.0013","17.083","0.0012","90","","90","","90","","2588","0.3","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Br Dy N4 O2 -","- C28 H28 Br Dy N4 O2 -","- C112 H112 Br4 Dy4 N16 O8 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","0.71073","MoKα","","0.0289","0.0253","","","0.0617","0.0675","","","","","","1.099","","","","has coordinates","240815","2020-10-21","18:00:00",""
"4130353","8.7031","0.0005","17.1806","0.0009","16.9926","0.0012","90","","90","","90","","2540.8","0.3","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Cl Dy N4 O2 -","- C28 H28 Cl Dy N4 O2 -","- C112 H112 Cl4 Dy4 N16 O8 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","0.71073","MoKα","","0.0478","0.0383","","","0.0653","0.0686","","","","","","1.042","","","","has coordinates","240816","2020-10-21","18:00:00",""
"4130354","8.6882","0.0004","17.3517","0.0009","17.0584","0.0008","90","","90","","90","","2571.6","0.2","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Br N4 O2 Y -","- C28 H28 Br N4 O2 Y -","- C112 H112 Br4 N16 O8 Y4 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","1.54178","CuKα","","0.034","0.0317","","","0.0775","0.0802","","","","","","1.027","","","","has coordinates","240817","2020-10-21","18:00:00",""
"4130355","8.6871","0.0004","17.1521","0.0006","17.0046","0.0006","90","","90","","90","","2533.72","0.17","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Cl N4 O2 Y -","- C28 H28 Cl N4 O2 Y -","- C112 H112 Cl4 N16 O8 Y4 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","1.54178","CuKα","","0.0319","0.0305","","","0.0754","0.0765","","","","","","1.07","","","","has coordinates","240818","2020-10-21","18:00:00",""
"4130356","8.1289","0.0011","24.59","0.004","8.7228","0.0012","90","","99.753","0.006","90","","1718.4","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Dornan, Peter K.; Lee, Daniel; Grubbs, Robert H.","Tandem Olefin Metathesis/Oxidative Cyclization: Synthesis of Tetrahydrofuran Diols from Simple Olefins.","Journal of the American Chemical Society","2016","138","20","6372","6375","10.1021/jacs.6b02653","","","1.54178","CuKα","","0.0363","0.0336","","","0.0819","0.0837","","","","","","1.072","","","","has coordinates","240819","2020-10-21","18:00:00",""
"4130357","12.0771","0.0004","10.1622","0.0004","11.7693","0.0004","90","","117.15","0.0012","90","","1285.29","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O7 -","- C11 H18 O7 -","- C44 H72 O28 -","4","1","","Dornan, Peter K.; Lee, Daniel; Grubbs, Robert H.","Tandem Olefin Metathesis/Oxidative Cyclization: Synthesis of Tetrahydrofuran Diols from Simple Olefins.","Journal of the American Chemical Society","2016","138","20","6372","6375","10.1021/jacs.6b02653","","","1.54178","CuKα","","0.0374","0.0315","","","0.0766","0.0801","","","","","","1.03","","","","has coordinates","240820","2020-10-21","18:00:00",""
"4130358","16.2633","0.0006","9.9482","0.0003","15.9423","0.0011","90","","90","","90","","2579.3","0.2","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H30 F N3 O2 Pd S -","- C28 H30 F N3 O2 Pd S -","- C112 H120 F4 N12 O8 Pd4 S4 -","4","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0734","0.0714","","","0.1879","0.1895","","","","","","1.07","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130359","7.6143","0.0001","8.1214","0.0001","16.8301","0.0012","94.216","0.007","91.512","0.006","100.255","0.007","1020.53","0.08","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N3 O2 Pd S -","- C21 H23 N3 O2 Pd S -","- C42 H46 N6 O4 Pd2 S2 -","2","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0322","0.032","","","0.083","0.0833","","","","","","1.086","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130360","8.154","0.003","8.234","0.0002","31.472","0.002","90","","97.248","0.012","90","","2096.1","0.8","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F3 N3 O2 Pd S -","- C21 H20 F3 N3 O2 Pd S -","- C84 H80 F12 N12 O8 Pd4 S4 -","4","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0356","0.0345","","","0.0829","0.0837","","","","","","1.059","","","","has coordinates","240821","2020-10-21","18:00:00",""
"4130361","10.044","0.0002","12.345","0.0002","17.7048","0.0012","90.013","0.006","97.735","0.007","113.481","0.008","1991.66","0.19","225","2","225","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Cl2 N4 O5 Pd S2 -","- C37 H42 Cl2 N4 O5 Pd S2 -","- C74 H84 Cl4 N8 O10 Pd2 S4 -","2","1","","Pendleton, Ian M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.; Zimmerman, Paul M.","Experimental and Computational Assessment of Reactivity and Mechanism in C(sp(3))-N Bond-Forming Reductive Elimination from Palladium(IV).","Journal of the American Chemical Society","2016","138","18","6049","6060","10.1021/jacs.6b02714","","","1.54178","CuKα","","0.0761","0.0726","","","0.2149","0.2212","","","","","","1.116","","","","has coordinates,has disorder","240821","2020-10-21","18:00:00",""
"4130362","25.733","0.0012","13.3912","0.0005","21.1443","0.0009","90","","94.874","0.001","90","","7259.9","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17.5 N3.5 O4.25 Pd -","- C19 H17.5 N3.5 O4.25 Pd -","- C304 H280 N56 O68 Pd16 -","16","2","","Gurak, Jr, John A; Yang, Kin S.; Liu, Zhen; Engle, Keary M.","Directed, Regiocontrolled Hydroamination of Unactivated Alkenes via Protodepalladation.","Journal of the American Chemical Society","2016","138","18","5805","5808","10.1021/jacs.6b02718","","","0.71073","MoKα","","0.0513","0.0378","","","0.0868","0.0955","","","","","","1.027","","","","has coordinates,has disorder","240822","2020-10-21","18:00:00",""
"4130363","8.6307","0.0004","5.2843","0.0003","37.3565","0.0018","90","","94.473","0.002","90","","1698.54","0.15","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Gurak, Jr, John A; Yang, Kin S.; Liu, Zhen; Engle, Keary M.","Directed, Regiocontrolled Hydroamination of Unactivated Alkenes via Protodepalladation.","Journal of the American Chemical Society","2016","138","18","5805","5808","10.1021/jacs.6b02718","","","1.54178","CuKα","","0.0606","0.0592","","","0.1816","0.1831","","","","","","1.08","","","","has coordinates","240823","2020-10-21","18:00:00",""
"4130364","8.5434","0.0004","11.3181","0.0005","19.657","0.001","106.087","0.002","96.817","0.002","97.583","0.002","1786.12","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H56 Co O2 -","- C43 H56 Co O2 -","- C86 H112 Co2 O4 -","2","1","","Bellow, James A.; Stoian, Sebastian A.; van Tol, Johan; Ozarowski, Andrew; Lord, Richard L.; Groysman, Stanislav","Synthesis and Characterization of a Stable High-Valent Cobalt Carbene Complex.","Journal of the American Chemical Society","2016","138","17","5531","5534","10.1021/jacs.6b02747","","","0.71073","MoKα","","0.0638","0.0553","","","0.1373","0.1401","","","","","","1.12","","","","has coordinates","240824","2020-10-21","18:00:00",""
"4130365","42.9399","0.0015","12.8337","0.0005","18.6967","0.0007","90","","95.8809","0.0013","90","","10249.1","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H39.5 Cl1.5 F6 Ir N6 O5 -","- C46.5 H39.5 Cl1.5 F6 Ir N6 O5 -","- C372 H316 Cl12 F48 Ir8 N48 O40 -","8","1","","Xu, Weici; Arieno, Marcus; Löw, Henrik; Huang, Kaifang; Xie, Xiulan; Cruchter, Thomas; Ma, Qiao; Xi, Jianwei; Huang, Biao; Wiest, Olaf; Gong, Lei; Meggers, Eric","Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading.","Journal of the American Chemical Society","2016","138","28","8774","8780","10.1021/jacs.6b02769","","","0.70932","MoKα","","0.0755","0.0595","","","0.1867","0.2137","","","","","","1.008","","","","has coordinates","240825","2020-10-21","18:00:00",""
"4130366","10.3862","0.0003","21.7927","0.0007","15.7223","0.0005","90","","104.915","0.003","90","","3438.74","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl5 Ir N5 O2 -","- C36 H27 Cl5 Ir N5 O2 -","- C144 H108 Cl20 Ir4 N20 O8 -","4","1","","Xu, Weici; Arieno, Marcus; Löw, Henrik; Huang, Kaifang; Xie, Xiulan; Cruchter, Thomas; Ma, Qiao; Xi, Jianwei; Huang, Biao; Wiest, Olaf; Gong, Lei; Meggers, Eric","Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading.","Journal of the American Chemical Society","2016","138","28","8774","8780","10.1021/jacs.6b02769","","","0.71073","MoKα","","0.0501","0.0418","","","0.1264","0.1349","","","","","","0.995","","","","has coordinates","240826","2020-10-21","18:00:00",""
"4130367","10.4226","0.0003","22.0201","0.0004","15.7757","0.0004","90","","104.508","0.003","90","","3505.18","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cl5 N5 O2 Rh -","- C36 H27 Cl5 N5 O2 Rh -","- C144 H108 Cl20 N20 O8 Rh4 -","4","1","","Xu, Weici; Arieno, Marcus; Löw, Henrik; Huang, Kaifang; Xie, Xiulan; Cruchter, Thomas; Ma, Qiao; Xi, Jianwei; Huang, Biao; Wiest, Olaf; Gong, Lei; Meggers, Eric","Metal-Templated Design: Enantioselective Hydrogen-Bond-Driven Catalysis Requiring Only Parts-per-Million Catalyst Loading.","Journal of the American Chemical Society","2016","138","28","8774","8780","10.1021/jacs.6b02769","","","0.71073","MoKα","","0.0466","0.0417","","","0.0978","0.1004","","","","","","1.004","","","","has coordinates","240827","2020-10-21","18:00:00",""
"4130368","19.6428","0.001","9.1623","0.0005","33.756","0.002","90","","94.1615","0.0015","90","","6059.2","0.6","120","2","120","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C39 H38 Si -","- C39 H38 Si -","- C312 H304 Si8 -","8","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0708","0.0455","","","0.107","0.1203","","","","","","1.03","","","","has coordinates","240828","2020-10-21","18:00:00",""
"4130369","8.3788","0.0007","13.7166","0.0013","23.034","0.002","90","","97.494","0.003","90","","2624.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 N2 Si -","- C31 H38 N2 Si -","- C124 H152 N8 Si4 -","4","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0789","0.0458","","","0.0964","0.1092","","","","","","1.013","","","","has coordinates","240829","2020-10-21","18:00:00",""
"4130370","11.176","0.0006","14.3407","0.0008","15.4197","0.0009","106.774","0.0015","103.054","0.0016","99.4585","0.0016","2234.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H74 N2 Si -","- C49 H74 N2 Si -","- C98 H148 N4 Si2 -","2","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0809","0.0632","","","0.1733","0.1899","","","","","","1.002","","","","has coordinates,has disorder","240830","2020-10-21","18:00:00",""
"4130371","22.2976","0.0005","21.8242","0.0005","23.9794","0.0005","90","","90","","90","","11669","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64.5 H82 Fe N2 O4 Si -","- C64.5 H82 Fe N2 O4 Si -","- C516 H656 Fe8 N16 O32 Si8 -","8","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0693","0.045","","","0.0994","0.1109","","","","","","1.029","","","","has coordinates,has disorder","240831","2020-10-21","18:00:00",""
"4130372","10.358","0.0003","18.6766","0.0005","8.495","0.0002","90","","109.125","0.001","90","","1552.67","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BNH-III-066","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Hemric, Brett N.; Shen, Kun; Wang, Qiu","Copper-Catalyzed Amino Lactonization and Amino Oxygenation of Alkenes Using O-Benzoylhydroxylamines.","Journal of the American Chemical Society","2016","138","18","5813","5816","10.1021/jacs.6b02840","","","0.71073","MoKα","","0.0618","0.0511","","","0.1357","0.1439","","","","","","1.028","","","","has coordinates","240832","2020-10-21","18:00:00",""
"4130373","9.6266","0.0001","12.1164","0.0002","15.763","0.0002","107.201","0.0007","99.0307","0.0008","95.8325","0.0008","1713.1","0.04","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F10 I2 N2 O6 S -","- C25 H28 F10 I2 N2 O6 S -","- C50 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0854","0.0525","","","0.1095","0.1232","","","","","","1.036","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130374","9.609","0.0003","11.7874","0.0004","15.6613","0.0006","106.088","0.003","99.072","0.003","97.208","0.003","1656.12","0.11","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F10 I2 N2 O6 S -","- C25 H28 F10 I2 N2 O6 S -","- C50 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0392","0.0304","","","0.052","0.0569","","","","","","1.029","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130375","8.6068","0.0001","8.8928","0.0001","13.1636","0.0002","81.3961","0.0006","81.8363","0.0006","81.3533","0.0007","977.47","0.02","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 F8 I4 N4 O6 S2 -","- C26 H32 F8 I4 N4 O6 S2 -","- C26 H32 F8 I4 N4 O6 S2 -","1","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0266","0.0224","","","0.0475","0.049","","","","","","1.05","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130376","11.9213","0.0003","18.4095","0.0006","8.7557","0.0002","90","","98.516","0.002","90","","1900.39","0.09","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 F8 I4 N4 O6 S2 -","- C26 H32 F8 I4 N4 O6 S2 -","- C52 H64 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0206","0.0178","","","0.0381","0.0391","","","","","","1.032","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130377","11.5819","0.0003","18.0821","0.0007","8.6578","0.0003","90","","98.464","0.003","90","","1793.41","0.11","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Br4 F8 N4 O6 S2 -","- C26 H32 Br4 F8 N4 O6 S2 -","- C52 H64 Br8 F16 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0498","0.0327","","","0.061","0.0667","","","","","","1.026","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130378","11.9443","0.0005","19.5839","0.0005","26.1625","0.0009","90","","90","","90","","6119.8","0.4","253","0.1","253","0.1","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C17 H28 F8 I2 N2 O6 S -","- C17 H28 F8 I2 N2 O6 S -","- C136 H224 F64 I16 N16 O48 S8 -","8","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.1376","0.0939","","","0.1931","0.2181","","","","","","1.112","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130379","12.599","0.0003","17.0505","0.0004","19.7734","0.0004","69.408","0.002","85.6061","0.0019","69.27","0.002","3713.32","0.16","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27.38 H30 F11.15 I2.22 N2 O6 S -","- C27.3818 H30 F11.1515 I2.2303 N2 O6 S -","- C109.527 H120 F44.606 I8.9212 N8 O24 S4 -","4","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0498","0.037","","","0.0867","0.0951","","","","","","1.03","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130380","12.44152","0.00019","16.9891","0.0003","19.5792","0.0003","68.9618","0.0016","85.8437","0.0013","69.8182","0.0016","3619.2","0.12","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27.35 H30 F11.12 I2.22 N2 O6 S -","- C27.3617 H30 F11.1348 I2.22695 N2 O6 S -","- C109.447 H120 F44.539 I8.9078 N8 O24 S4 -","4","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0312","0.0261","","","0.0587","0.0615","","","","","","1.058","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130381","9.8179","0.0002","13.3362","0.0003","15.0376","0.0006","73.839","0.003","89.14","0.002","83.3489","0.0019","1878.09","0.1","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H30 F8 I4 N2 O6 S -","- C26 H30 F8 I4 N2 O6 S -","- C52 H60 F16 I8 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0629","0.054","","","0.1133","0.1165","","","","","","1.138","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130382","9.72","0.0003","10.7923","0.0003","11.3901","0.0003","86.699","0.002","63.843","0.003","73.958","0.002","1027.85","0.06","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","1","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0549","0.0442","","","0.0699","0.0736","","","","","","1.178","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130383","9.846","0.0002","10.4792","0.0003","11.3413","0.0003","85.313","0.002","64.871","0.002","71.883","0.002","1005.18","0.05","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","1","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0239","0.0232","","","0.0557","0.056","","","","","","1.246","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130384","10.0188","0.0001","13.4363","0.0001","15.5834","0.0002","90","","90.1191","0.0007","90","","2097.76","0.04","253","0.1","253","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C56 H72 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0445","0.0367","","","0.0822","0.0859","","","","","","1.031","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130385","9.9852","0.0001","13.3367","0.0001","15.2415","0.0002","90","","90.7746","0.0006","90","","2029.52","0.04","123","0.1","123","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H36 F8 I4 N4 O6 S2 -","- C28 H36 F8 I4 N4 O6 S2 -","- C56 H72 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0307","0.0282","","","0.0603","0.0613","","","","","","1.122","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130386","9.8094","0.0003","12.7105","0.0003","15.1305","0.0005","112.153","0.0016","91.9758","0.0012","97.0029","0.0017","1727.56","0.09","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H30 Br4 F8 N2 O6 S -","- C26 H30 Br4 F8 N2 O6 S -","- C52 H60 Br8 F16 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0596","0.0403","","","0.0868","0.0946","","","","","","1.05","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130387","9.7881","0.0001","12.6817","0.0001","13.5747","0.0001","94.8419","0.0006","105.916","0.0004","93.9121","0.0006","1607.29","0.02","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H30 F8 I2 N2 O6 S -","- C18 H30 F8 I2 N2 O6 S -","- C36 H60 F16 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0406","0.0324","","","0.0727","0.0767","","","","","","1.012","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130388","10.37","0.0002","13.8862","0.0002","12.7542","0.0001","90","","103.61","0.0008","90","","1785.03","0.05","170","0.1","170","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","- C58 H56 F20 I4 N4 O12 S2 -","2","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0347","0.0295","","","0.0633","0.0656","","","","","","1.024","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130389","8.9537","0.0001","9.519","0.0001","11.4872","0.0001","80.3533","0.0006","75.0509","0.0008","70.2282","0.0007","886.677","0.016","170","0.1","170","0.1","","","","","","","","7","P 1","P 1","1","","","","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","- C29 H28 F10 I2 N2 O6 S -","1","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.031","0.0261","","","0.0553","0.0572","","","","","","1.07","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130390","9.1335","0.0002","12.3265","0.0003","26.0309","0.0007","90","","99.35","0.002","90","","2891.73","0.12","123","0.1","123","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 F4 I2 N2 O6 S -","- C23 H28 F4 I2 N2 O6 S -","- C92 H112 F16 I8 N8 O24 S4 -","4","1","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.0199","0.0179","","","0.0395","0.0405","","","","","","1.078","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130391","12.3528","0.0001","25.5555","0.0002","38.3682","0.0003","90","","90","","90","","12112.2","0.17","123","0.1","123","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H28 F8 I2 N2 O6 S -","- C21.008 H28.012 F8 I2 N2 O6.003 S -","- C336.128 H448.192 F128 I32 N32 O96.048 S16 -","16","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0505","0.0393","","","0.083","0.0876","","","","","","1.056","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130392","9.7851","0.0001","13.5446","0.0002","16.3773","0.0002","90","","96.9011","0.0009","90","","2154.84","0.05","253","0.1","253","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 F8 I4 N4 O6 S2 -","- C32 H36 F8 I4 N4 O6 S2 -","- C64 H72 F16 I8 N8 O12 S4 -","2","0.5","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0461","0.0331","","","0.0656","0.0702","","","","","","1.041","","","","has coordinates","240833","2020-10-21","18:00:00",""
"4130393","12.5948","0.0003","25.0859","0.0009","19.8262","0.0005","90","","96.447","0.003","90","","6224.5","0.3","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 F8 I2 N2 O6 S -","- C22.002 H30 F8.004 I2 N2 O6 S -","- C176.016 H240 F64.032 I16 N16 O48 S8 -","8","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","x-ray","0.71073","MoKα","","0.039","0.0285","","","0.0573","0.0591","","","","","","0.942","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130394","10.3194","0.0008","8.9387","0.0008","20.8179","0.0014","90","","90.85","0.003","90","","1920.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H46 P2 Pd -","- C50 H46 P2 Pd -","- C100 H92 P4 Pd2 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.0907","0.0599","","","0.1111","0.1222","","","","","","1.021","","","","has coordinates,has disorder","240834","2020-10-21","18:00:00",""
"4130395","8.2724","0.0006","8.3263","0.0005","12.4647","0.0008","99.3703","0.0019","98.059","0.002","119.556","0.0018","712.13","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.0646","0.0598","","","0.1705","0.1743","","","","","","1.115","","","","has coordinates","240835","2020-10-21","18:00:00",""
"4130396","9.595","0.0018","9.6214","0.0019","21.763","0.005","86.505","0.007","83.992","0.007","87.351","0.008","1992.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 O P2 Pd -","- C46 H64 O P2 Pd -","- C92 H128 O2 P4 Pd2 -","2","1","","Gutiérrez-Bonet, Álvaro; Juliá-Hernández, Francisco; de Luis, Beatriz; Martin, Ruben","Pd-Catalyzed C(sp(3))-H Functionalization/Carbenoid Insertion: All-Carbon Quaternary Centers via Multiple C-C Bond Formation.","Journal of the American Chemical Society","2016","138","20","6384","6387","10.1021/jacs.6b02867","","","0.71073","MoKα","","0.2081","0.1332","","","0.2918","0.3162","","","","","","1.516","","","","has coordinates","240836","2020-10-21","18:00:00",""
"4130397","8.96","0.003","13.051","0.005","27.917","0.01","96.541","0.007","90.943","0.007","100.171","0.007","3190","2","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","","","- C19 Cl15 -","- C19 Cl15 -","- C76 Cl60 -","4","2","","Souto, Manuel; Cui, HengBo; Peña-Álvarez, Miriam; Baonza, Valentín G; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Blasi, Davide; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical.","Journal of the American Chemical Society","2016","138","36","11517","11525","10.1021/jacs.6b02888","","","0.71073","MoKα","","0.1766","0.0691","","","0.1541","0.2052","","","","","","0.881","","","","has coordinates","240837","2020-10-21","18:00:00",""
"4130398","17.411","0.003","7.9517","0.0016","30.177","0.006","90","","103.588","0.004","90","","4061","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H10 Cl14 N S4 -","- C35 H10 Cl14 N S4 -","- C140 H40 Cl56 N4 S16 -","4","2","","Souto, Manuel; Cui, HengBo; Peña-Álvarez, Miriam; Baonza, Valentín G; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Blasi, Davide; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical.","Journal of the American Chemical Society","2016","138","36","11517","11525","10.1021/jacs.6b02888","","","0.71073","MoKα","","0.2193","0.0614","","","0.1036","0.1457","","","","","","0.917","","","","has coordinates","240838","2020-10-21","18:00:00",""
"4130399","12.1017","0.0004","12.7507","0.0004","14.0794","0.0005","71.154","0.001","82.268","0.001","71.918","0.001","1953.09","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C33.5 H36 Cl4 F6 N4 O3.5 P Ru -","- C33.5 H36 Cl4 F6 N4 O3.5 P Ru -","- C67 H72 Cl8 F12 N8 O7 P2 Ru2 -","2","1","","Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu","Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex.","Journal of the American Chemical Society","2016","138","18","5817","5820","10.1021/jacs.6b02923","","","1.54178","CuKα","","0.0753","0.074","","","0.2049","0.2063","","","","","","1.085","","","","has coordinates,has disorder","240839","2020-10-21","18:00:00",""
"4130400","24.8814","0.0006","20.0338","0.0005","29.5126","0.0007","90","","90","","90","","14711.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C564 H540 Cl32 N76 O56 Ru16 -","16","2","","Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu","Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex.","Journal of the American Chemical Society","2016","138","18","5817","5820","10.1021/jacs.6b02923","","","1.54178","CuKα","","0.0506","0.0477","","","0.1329","0.1361","","","","","","1.093","","","","has coordinates,has disorder","240841","2020-10-21","18:00:00",""
"4130401","10.5376","0.0008","13.4923","0.001","13.7084","0.0011","90","","90","","90","","1949","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0394","0.0345","","","0.0815","0.0855","","","","","","1.036","","","","has coordinates","240842","2020-10-21","18:00:00",""
"4130402","6.2378","0.0012","11.146","0.002","23.681","0.005","90","","90","","90","","1646.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O4 -","- C19 H17 Cl O4 -","- C76 H68 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0455","0.0403","","","0.0982","0.1014","","","","","","1.052","","","","has coordinates","240843","2020-10-21","18:00:00",""
"4130403","6.0467","0.0004","9.9294","0.0008","27.622","0.002","90","","90","","90","","1658.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.052","0.0324","","","0.0698","0.077","","","","","","0.884","","","","has coordinates","240844","2020-10-21","18:00:00",""
"4130404","6.6769","0.0005","12.7034","0.0012","23.779","0.002","90","","90","","90","","2016.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0878","0.0789","","","0.23","0.2413","","","","","","1.091","","","","has coordinates","240845","2020-10-21","18:00:00",""
"4130405","23.1392","0.001","23.1392","0.001","41.5631","0.0019","90","","90","","90","","22253.8","1.7","298","2","298.15","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- In4 O10 S32 Sn16 -","- In4 O10 S32 Sn16 -","- In32 O80 S256 Sn128 -","8","0.25","","Zhang, Xian-Ming; Sarma, Debajit; Wu, Ya-Qin; Wang, Li; Ning, Zhi-Xue; Zhang, Fu-Qiang; Kanatzidis, Mercouri G.","Open-Framework Oxysulfide Based on the Supertetrahedral [In4Sn16O10S34](12-) Cluster and Efficient Sequestration of Heavy Metals.","Journal of the American Chemical Society","2016","138","17","5543","5546","10.1021/jacs.6b02959","","","0.71073","MoKα","","0.1079","0.0444","","","0.0919","0.1056","","","","","","0.794","","","","has coordinates","240846","2020-10-21","18:00:00",""
"4130406","8.587","0.003","11.651","0.004","14.574","0.006","107.133","0.005","97.316","0.005","92.476","0.005","1377","0.9","143","","143","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 D O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","2","","Nogi, Keisuke; Fujihara, Tetsuaki; Terao, Jun; Tsuji, Yasushi","Carboxyzincation Employing Carbon Dioxide and Zinc Powder: Cobalt-Catalyzed Multicomponent Coupling Reactions with Alkynes.","Journal of the American Chemical Society","2016","138","17","5547","5550","10.1021/jacs.6b02961","","","0.7107","MoKα","","0.0764","0.0395","","","0.084","0.1023","","","","","","1.016","","","","has coordinates","240847","2020-10-21","18:00:00",""
"4130407","20.128","0.018","43.359","0.039","7.4073","0.0067","90","","90.5085","0.0041","90","","6464","10","300","","300","","","","","","","","","3","C 1 n 1","C -2yac","9","","","","- C66 H36 O12 -","- C66 H36 O12 -","- C264 H144 O48 -","4","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","1","synchrotron","","","","","","","","","","","","","","","","","has coordinates","240848","2020-10-21","18:00:00",""
"4130408","18.238","0.0002","21.7332","0.0002","21.6772","0.0002","105.474","0.0004","103.115","0.0005","99.916","0.0009","7812.88","0.14","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C143 H87 N O27 -","- C143 H87 N O27 -","- C286 H174 N2 O54 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","0.8","synchrotron","","0.1389","0.1204","","","0.3683","0.3903","","","","","","1.655","","","","has coordinates,has disorder","240849","2020-10-21","18:00:00",""
"4130409","14.2413","0.0003","16.8612","0.0003","20.8726","0.0004","89.539","0.0008","88.175","0.0008","82.566","0.0008","4967.35","0.17","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H60 Cl3 N3 O15 -","- C81 H60 Cl3 N3 O15 -","- C162 H120 Cl6 N6 O30 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","1.54187","CuKα","","0.2245","0.123","","","0.3723","0.4397","","","","","","1.113","","","","has coordinates","240850","2020-10-21","18:00:00",""
"4130410","15.3971","0.0011","17.5779","0.0009","26.0548","0.0013","88.62","0.004","87.381","0.005","65.012","0.006","6384.9","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C141 H73.5 Cl25.5 O12 -","- C141 H73.5 Cl25.5 O12 -","- C282 H147 Cl51 O24 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","1.54187","CuKα","","0.2597","0.1413","","","0.3875","0.4324","","","","","","1.088","","","","has coordinates,has disorder","240851","2020-10-21","18:00:00",""
"4130411","15.3981","0.0002","21.2475","0.0002","23.5028","0.0002","67.6497","0.0006","76.3614","0.0006","83.8777","0.0007","6910.01","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C138 H75 Cl3 O24 -","- C138 H75 Cl3 O24 -","- C276 H150 Cl6 O48 -","2","1","","Hisaki, Ichiro; Nakagawa, Shoichi; Ikenaka, Nobuaki; Imamura, Yutaka; Katouda, Michio; Tashiro, Motomichi; Tsuchida, Hiromu; Ogoshi, Tomoki; Sato, Hiroyasu; Tohnai, Norimitsu; Miyata, Mikiji","A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials.","Journal of the American Chemical Society","2016","138","20","6617","6628","10.1021/jacs.6b02968","","","0.8","synchrotron","","0.1195","0.1065","","","0.3245","0.3362","","","","","","1.061","","","","has coordinates","240852","2020-10-21","18:00:00",""
"4130412","10.4003","0.0009","16.0666","0.0013","21.687","0.0018","106.88","0.004","91.828","0.004","90.151","0.004","3465.7","0.5","100","2","100.04","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H62 Cu4 K N13 O33 P4 -","- C34 H48 Cu4 K N13 O33 P4 -","- C68 H96 Cu8 K2 N26 O66 P8 -","2","1","","Du, Kang; Harris, T. David","A Cu(II)2 Paramagnetic Chemical Exchange Saturation Transfer Contrast Agent Enabled by Magnetic Exchange Coupling.","Journal of the American Chemical Society","2016","138","25","7804","7807","10.1021/jacs.6b03060","","","0.71073","MoKα","","0.0823","0.0705","","","0.2074","0.2169","","","","","","1.043","","","","has coordinates,has disorder","240853","2020-10-21","18:00:00",""
"4130413","18.133","0.012","11.428","0.007","29.728","0.019","90","","96.237","0.006","90","","6124","7","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H47 O3 P3 Pd S -","- C24.001 H45.285 O3 P3 Pd S -","- C192.008 H362.28 O24 P24 Pd8 S8 -","8","1","","Zhu, Yueyue; Chen, Tieqiao; Li, Shan; Shimada, Shigeru; Han, Li-Biao","Efficient Pd-Catalyzed Dehydrogenative Coupling of P(O)H with RSH: A Precise Construction of P(O)-S Bonds.","Journal of the American Chemical Society","2016","138","18","5825","5828","10.1021/jacs.6b03112","","","0.71073","MoKα","","0.0302","0.0277","","","0.0657","0.0673","","","","","","1.111","","","","has coordinates,has disorder","240854","2020-10-21","18:00:00",""
"4130414","7.8238","0.0012","9.782","0.0015","14.414","0.002","90","","91.602","0.002","90","","1102.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H0.5 Cu I2 N8 -","- C16 H24 Cu I2 N8 -","- C32 H48 Cu2 I4 N16 -","2","0.5","","Liebeskind, Lanny S.; Gangireddy, Pavankumar; Lindale, Matthew G.","Benzoisothiazolone Organo/Copper-Cocatalyzed Redox Dehydrative Construction of Amides and Peptides from Carboxylic Acids using (EtO)3P as the Reductant and O2 in Air as the Terminal Oxidant.","Journal of the American Chemical Society","2016","138","21","6715","6718","10.1021/jacs.6b03168","","","0.71073","MoKα","","0.0302","0.0269","","","0.0669","0.0697","","","","","","1.125","","","","has coordinates","240855","2020-10-21","18:00:00",""
"4130415","15.835","0.002","15.835","0.002","27.47","0.006","90","","90","","120","","5965.2","1.7","173","2","173.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H60 Fe O3 P2 -","- C39 H60 Fe O3 P2 -","- C234 H360 Fe6 O18 P12 -","6","0.166667","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.08","0.0527","","","0.1115","0.1214","","","","","","1.085","","","","has coordinates","240856","2020-10-21","18:00:00",""
"4130416","13.082","0.0003","23.0562","0.0009","17.1097","0.0006","90","","106.467","0.002","90","","4949","0.3","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H78 Fe O3 P2 -","- C51 H78 Fe O3 P2 -","- C204 H312 Fe4 O12 P8 -","4","0.5","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.054","0.0336","","","0.0799","0.0875","","","","","","1.03","","","","has coordinates","240856","2020-10-21","18:00:00",""
"4130417","21.5104","0.0008","13.9765","0.0006","18.3436","0.0008","90","","122.839","0.002","90","","4633.5","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H84 Fe O3 P2 -","- C45 H84 Fe O3 P2 -","- C180 H336 Fe4 O12 P8 -","4","0.5","","Lang, Georgette M.; Shima, Takanori; Wang, Leyong; Cluff, Kyle J.; Skopek, Katrin; Hampel, Frank; Blümel, Janet; Gladysz, John A.","Gyroscope-Like Complexes Based on Dibridgehead Diphosphine Cages That Are Accessed by Three-Fold Intramolecular Ring Closing Metatheses and Encase Fe(CO)3, Fe(CO)2(NO)(+), and Fe(CO)3(H)(+) Rotators.","Journal of the American Chemical Society","2016","138","24","7649","7663","10.1021/jacs.6b03178","","","0.71073","MoKα","","0.0889","0.0428","","","0.0907","0.1036","","","","","","1.001","","","","has coordinates","240856","2020-10-21","18:00:00",""
"4130418","8.0463","0.0004","16.1268","0.0007","22.1134","0.001","90","","90","","90","","2869.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LC3","","","- C31 H47 Au Cl3 P -","- C31 H47 Au Cl3 P -","- C124 H188 Au4 Cl12 P4 -","4","1","","Chen, Liye; Ren, Peng; Carrow, Brad P.","Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds.","Journal of the American Chemical Society","2016","138","20","6392","6395","10.1021/jacs.6b03215","","","0.71073","MoKα","","0.0345","0.0311","","","0.0669","0.0677","","","","","","1.105","","","","has coordinates","240857","2020-10-21","18:00:00",""
"4130419","10.7563","0.0008","11.5192","0.0008","17.1433","0.0012","90","","91.448","0.002","90","","2123.4","0.3","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C49 H68 N O5 P Pd S -","- C49 H68 N O5 P Pd S -","- C98 H136 N2 O10 P2 Pd2 S2 -","2","1","","Chen, Liye; Ren, Peng; Carrow, Brad P.","Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds.","Journal of the American Chemical Society","2016","138","20","6392","6395","10.1021/jacs.6b03215","","","0.71073","MoKα","","0.0267","0.0239","","","0.0545","0.0556","","","","","","1.0309","","","","has coordinates","240858","2020-10-21","18:00:00",""
"4130420","31.4376","0.0008","13.3371","0.0004","19.0763","0.0005","90","","91.084","0.001","90","","7997","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 Ce N5 O3 Si2 -","- C37 H59 Ce N5 O3 Si2 -","- C296 H472 Ce8 N40 O24 Si16 -","8","2","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0847","0.049","","","0.0927","0.105","","","","","","1.059","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4130421","11.9773","0.0003","17.8482","0.0004","20.9505","0.0005","90","","97.343","0.001","90","","4441.93","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 Ce F6 N5 O4 -","- C45 H57 Ce F6 N5 O4 -","- C180 H228 Ce4 F24 N20 O16 -","4","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.061","0.0376","","","0.0833","0.0916","","","","","","1.031","","","","has coordinates","240859","2020-10-21","18:00:00",""
"4130422","11.8007","0.0006","17.3405","0.0009","14.0927","0.0007","90","","91.239","0.003","90","","2883.1","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H68 Ce F6 K N5 O7 -","- C49 H68 Ce F6 K N5 O7 -","- C98 H136 Ce2 F12 K2 N10 O14 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0349","0.027","","","0.0557","0.0579","","","","","","1.006","","","","has coordinates,has disorder","240859","2020-10-21","18:00:00",""
"4130423","11.3019","0.0003","12.196","0.0003","18.6065","0.0005","103.394","0.002","93.797","0.002","113.733","0.002","2247.02","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H57 Ce F6 N5 O3 Si -","- C44 H57 Ce F6 N5 O3 Si -","- C88 H114 Ce2 F12 N10 O6 Si2 -","2","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","An Alkali Metal-Capped Cerium(IV) Imido Complex.","Journal of the American Chemical Society","2016","138","22","6928","6931","10.1021/jacs.6b03293","","","0.71073","MoKα","","0.0341","0.0258","","","0.0532","0.056","","","","","","1.03","","","","has coordinates","240859","2020-10-21","18:00:00",""
"4130424","10.1007","0.0008","12.8982","0.0007","15.4354","0.0015","81.816","0.006","80.903","0.009","70.138","0.006","1859","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H52 Au N S8 -","- C28 H52 Au N S8 -","- C56 H104 Au2 N2 S16 -","2","2","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0854","0.0379","","","0.0641","0.0793","","","","","","1.027","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130425","9.9946","0.0006","12.8908","0.0012","15.4197","0.0013","81.69","0.006","80.294","0.005","69.818","0.006","1830","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H52 N Ni S8 -","- C28 H52 N Ni S8 -","- C56 H104 N2 Ni2 S16 -","2","2","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0936","0.045","","","0.0871","0.1068","","","","","","1.02","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130426","6.957","0.005","7.938","0.005","9.378","0.005","73.394","0.005","74.625","0.005","73.189","0.005","465.6","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 Au S8 -","- C12 H16 Au S8 -","- C12 H16 Au S8 -","1","1","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0784","0.0454","","","0.0625","0.0678","","","","","","1.01","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130427","6.9784","0.0004","7.8994","0.0006","9.217","0.0005","70.105","0.006","75.451","0.005","75.277","0.004","454.44","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 Ni S8 -","- C12 H16 Ni S8 -","- C12 H16 Ni S8 -","1","1","","Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes.","Journal of the American Chemical Society","2016","138","21","6838","6851","10.1021/jacs.6b03342","","","0.71073","MoKα","","0.0415","0.0267","","","0.0576","0.061","","","","","","1.019","","","","has coordinates","240860","2020-10-21","18:00:00",""
"4130428","11.7881","0.0002","16.3973","0.0002","19.778","0.0003","90","","105.539","0.0018","90","","3683.22","0.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 B2 F12 Fe N6 O -","- C37 H28 B2 F12 Fe N6 O -","- C148 H112 B8 F48 Fe4 N24 O4 -","4","1","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0499","0.0379","","","0.0907","0.0978","","","","","","1.024","","","","has coordinates,has disorder","240861","2020-10-21","18:00:00",""
"4130429","14.4312","0.0004","12.8954","0.0003","18.3009","0.0005","90","","92.161","0.002","90","","3403.3","0.15","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H28 Cl F4 Fe N5 O6 -","- C35 H28 Cl0.9995 F4 Fe N5 O5.998 -","- C140 H112 Cl3.998 F16 Fe4 N20 O23.992 -","4","2","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.034","0.0332","","","0.0904","0.0909","","","","","","1.018","","","","has coordinates,has disorder","240862","2020-10-21","18:00:00",""
"4130430","11.655","0.0002","26.4005","0.0006","28.4632","0.0005","90","","91.2677","0.0015","90","","8755.9","0.3","110","2","110","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C76 H61 Cl4 F6 Fe2 N11 O22 -","- C76 H61 Cl4.0008 F6 Fe2 N11 O21.8862 -","- C304 H244 Cl16.0032 F24 Fe8 N44 O87.5448 -","4","0.5","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0679","0.0576","","","0.1669","0.1771","","","","","","1.033","","","","has coordinates,has disorder","240863","2020-10-21","18:00:00",""
"4130431","12.6196","0.0003","20.6085","0.0005","14.9361","0.0003","90","","96.679","0.002","90","","3858.08","0.15","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Cl2 F4 Fe N6 O10 -","- C39 H32 Cl2 F4 Fe N6 O10 -","- C156 H128 Cl8 F16 Fe4 N24 O40 -","4","1","","Sahu, Sumit; Zhang, Bo; Pollock, Christopher J.; Dürr, Maximilian; Davies, Casey G.; Confer, Alex M.; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; Krebs, Carsten; Goldberg, David P.","Aromatic C-F Hydroxylation by Nonheme Iron(IV)-Oxo Complexes: Structural, Spectroscopic, and Mechanistic Investigations.","Journal of the American Chemical Society","2016","138","39","12791","12802","10.1021/jacs.6b03346","","","1.54178","CuKα","","0.0521","0.0393","","","0.0939","0.1022","","","","","","1.014","","","","has coordinates,has disorder","240864","2020-10-21","18:00:00",""
"4130432","14.3561","0.001","7.4881","0.0006","18.4363","0.0012","90","","109.055","0.002","90","","1873.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 Ru -","- C24 H16 N2 O2 Ru -","- C96 H64 N8 O8 Ru4 -","4","1","","Fan, Zhoulong; Ni, Jiabin; Zhang, Ao","Meta-Selective CAr-H Nitration of Arenes through a Ru3(CO)12-Catalyzed Ortho-Metalation Strategy.","Journal of the American Chemical Society","2016","138","27","8470","8475","10.1021/jacs.6b03402","","","0.71073","MoKα","","0.0514","0.0353","","","0.0945","0.1277","","","","","","1.097","","","","has coordinates","240865","2020-10-21","18:00:00",""
"4130433","11.1346","0.0002","10.5539","0.0002","28.386","0.0006","90","","98.7877","0.0017","90","","3296.58","0.11","150","2","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H30 B F5 S -","- C42.0025 H30 B F5 S -","- C168.01 H120 B4 F20 S4 -","4","2","","Süsse, Lars; Hermeke, Julia; Oestreich, Martin","The Asymmetric Piers Hydrosilylation.","Journal of the American Chemical Society","2016","138","22","6940","6943","10.1021/jacs.6b03443","","x-ray","1.54184","CuKα","","0.0513","0.0425","","","0.1003","0.1124","","","","","","1.065","","","","has coordinates,has disorder","240866","2020-10-21","18:00:00",""
"4130434","26.977","0.004","14.654","0.002","23.39","0.003","90","","90","","90","","9247","2","100","","100","","","","","","","","dichloromethane","9","C m c e","-C 2ac 2","64","","Title","","- C43 H39 As2 B2 Cl F14 N3 O Rh -","- C43 H39 As2 B2 Cl F14 N3 O Rh -","- C344 H312 As16 B16 Cl8 F112 N24 O8 Rh8 -","8","0.5","","Dube, Jonathan W.; Zheng, Yiying; Thiel, Walter; Alcarazo, Manuel","α-Cationic Arsines: Synthesis, Structure, Reactivity, and Applications.","Journal of the American Chemical Society","2016","138","21","6869","6877","10.1021/jacs.6b03500","","","0.71073","Mo-Kα","","0.0737","0.0368","","","0.0777","0.0931","","","","","","1.087","","","","has coordinates,has disorder","240867","2020-10-21","18:00:00",""
"4130435","17.3093","0.0004","6.24868","0.00015","29.0192","0.0008","90","","102.724","0.003","90","","3061.65","0.14","100","0.11","100","0.11","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C34 H34 Br2 N2 O3 -","- C34 H34 Br2 N2 O3 -","- C136 H136 Br8 N8 O12 -","4","1","","Poulsen, Pernille H.; Vergura, Stefania; Monleón, Alicia; Jørgensen, Danny Kaare Bech; Jørgensen, Karl Anker","Controlling Asymmetric Remote and Cascade 1,3-Dipolar Cycloaddition Reactions by Organocatalysis.","Journal of the American Chemical Society","2016","138","20","6412","6415","10.1021/jacs.6b03546","","x-ray","0.71073","MoKα","","0.0545","0.0456","","","0.1141","0.1217","","","","","","1.054","","","","has coordinates","240868","2020-10-21","18:00:00",""
"4130436","24.836","0.003","10.6607","0.0006","29.1236","0.0019","90","","102.166","0.008","90","","7537.8","1.1","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H14 B F35 Ge N4 -","- C67 H14 B F35 Ge N4 -","- C268 H56 B4 F140 Ge4 N16 -","4","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","1.54184","CuKα","","0.131","0.102","","","0.2715","0.2984","","","","","","1.173","","","","has coordinates","240869","2020-10-21","18:00:00",""
"4130437","8.499","0.0019","35.608","0.007","26.043","0.006","90","","97.695","0.003","90","","7810","3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H17 F15 Ge N4 -","- C45 H17 F15 Ge N4 -","- C360 H136 F120 Ge8 N32 -","8","2","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.1171","0.091","","","0.1465","0.1575","","","","","","1.199","","","","has coordinates,has disorder","240870","2020-10-21","18:00:00",""
"4130438","13.1675","0.0005","15.2199","0.0009","19.0967","0.0011","94.292","0.005","95.582","0.004","98.626","0.004","3750.3","0.3","180.01","0.1","180.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C69 H24 B F35 Ge N4 O2 -","- C69 H24 B F35 Ge N4 O2 -","- C138 H48 B2 F70 Ge2 N8 O4 -","2","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","1.54178","CuKα","","0.1197","0.071","","","0.162","0.1975","","","","","","0.973","","","","has coordinates,has disorder","240871","2020-10-21","18:00:00",""
"4130439","21.5561","0.0008","19.0714","0.0008","17.2328","0.0008","90","","93.376","0.002","90","","7072.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H13 F15 Ge N4 -","- C43 H13 F15 Ge N4 -","- C344 H104 F120 Ge8 N32 -","8","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.0652","0.0457","","","0.1067","0.1176","","","","","","1.047","","","","has coordinates","240872","2020-10-21","18:00:00",""
"4130440","15.204","0.003","10.0045","0.0016","24.937","0.004","90","","91.887","0.003","90","","3791.1","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H19 F15 Ge N4 -","- C46 H19 F15 Ge N4 -","- C184 H76 F60 Ge4 N16 -","4","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.0473","0.0425","","","0.0935","0.0959","","","","","","1.142","","","","has coordinates","240873","2020-10-21","18:00:00",""
"4130441","12.331","0.0014","14.8171","0.0016","15.2967","0.0018","75.578","0.004","88.007","0.005","79.011","0.005","2656.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H35 F16 Ge N4 -","- C64 H35 F16 Ge N4 -","- C128 H70 F32 Ge2 N8 -","2","1","","Fang, Huayi; Jing, Huize; Zhang, Aixi; Ge, Haonan; Yao, Zhengmin; Brothers, Penelope J.; Fu, Xuefeng","Synthesis, Electronic Structure, and Reactivity Studies of a 4-Coordinate Square Planar Germanium(IV) Cation.","Journal of the American Chemical Society","2016","138","24","7705","7710","10.1021/jacs.6b03547","","","0.71073","MoKα","","0.0606","0.0545","","","0.1131","0.1174","","","","","","1.105","","","","has coordinates","240874","2020-10-21","18:00:00",""
"4130442","14.7965","0.0004","14.7965","0.0004","38.3211","0.001","90","","90","","120","","7265.9","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85.82 H25.82 B12 Cl5.46 F60 O12.99 -","- C85.82 H25.82 B12 Cl5.46 F60 O12.994 -","- C257.46 H77.46 B36 Cl16.38 F180 O38.982 -","3","0.166667","","Messina, Marco S.; Axtell, Jonathan C.; Wang, Yiqun; Chong, Paul; Wixtrom, Alex I.; Kirlikovali, Kent O.; Upton, Brianna M.; Hunter, Bryan M.; Shafaat, Oliver S.; Khan, Saeed I.; Winkler, Jay R.; Gray, Harry B.; Alexandrova, Anastassia N.; Maynard, Heather D.; Spokoyny, Alexander M.","Visible-Light-Induced Olefin Activation Using 3D Aromatic Boron-Rich Cluster Photooxidants.","Journal of the American Chemical Society","2016","138","22","6952","6955","10.1021/jacs.6b03568","","","1.54178","CuKα","","0.0311","0.0304","","","0.0806","0.0811","","","","","","1.094","","","","has coordinates,has disorder","240875","2020-10-21","18:00:00",""
"4130443","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","290","","290","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu","Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application.","Journal of the American Chemical Society","2016","138","27","8505","8511","10.1021/jacs.6b03625","","","1","neutrons","","0.065","0.0636","","","0.1602","0.1613","","","","","","1.142","","","","has coordinates","240876","2020-10-21","18:00:00",""
"4130444","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","77","","77","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H5 N3 O4 P Zn0.5 -","- C2 H5 N3 O4 P Zn0.5 -","- C16 H40 N24 O32 P8 Zn4 -","8","1","","Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu","Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application.","Journal of the American Chemical Society","2016","138","27","8505","8511","10.1021/jacs.6b03625","","","1","neutrons","","0.0655","0.065","","","0.1513","0.1515","","","","","","1.077","","","","has coordinates","240877","2020-10-21","18:00:00",""
"4130445","15.982","0.005","16.075","0.005","28.684","0.01","90","","90","","90","","7369","4","291","2","291","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C31 H57 B2 Ir O6 P2 -","- C31 H57 B2 Ir O6 P2 -","- C248 H456 B16 Ir8 O48 P16 -","8","1","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0644","0.0268","","","0.0539","0.0664","","","","","","1.001","","","","has coordinates,has disorder","240878","2020-10-21","18:00:00",""
"4130446","8.512","0.0019","20.125","0.004","18.462","0.004","90","","98.697","0.003","90","","3126.3","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H108 Cl2 Ir2 O4 P4 -","- C57 H106 Cl2 Ir2 O4 P4 -","- C114 H212 Cl4 Ir4 O8 P8 -","2","0.5","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0418","0.0383","","","0.099","0.1013","","","","","","1.022","","","","has coordinates,has disorder","240878","2020-10-21","18:00:00",""
"4130447","19.124","0.005","7.909","0.002","24.508","0.007","90","","104.134","0.003","90","","3594.7","1.7","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 B Ir O4 P2 -","- C32 H60 B Ir O4 P2 -","- C128 H240 B4 Ir4 O16 P8 -","4","1","","Press, Loren P.; Kosanovich, Alex J.; McCulloch, Billy J.; Ozerov, Oleg V.","High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium.","Journal of the American Chemical Society","2016","138","30","9487","9497","10.1021/jacs.6b03656","","","0.71073","MoKα","","0.0352","0.0246","","","0.0502","0.0544","","","","","","1.043","","","","has coordinates","240878","2020-10-21","18:00:00",""
"4130448","18.8345","0.0007","18.8345","0.0007","18.8345","0.0007","90","","90","","90","","6681.3","0.4","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP-DMF","","","- C140 H140 Cl3 Co14.4 N76 O14.4 -","- C104.002 H56.0016 Cl3 Co14.4 N63.9984 O14.4 -","- C104.002 H56.0016 Cl3 Co14.4 N63.9984 O14.4 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0503","0.0462","","","0.1537","0.159","","","","","","1.114","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130449","18.7059","0.0004","18.7059","0.0004","18.7059","0.0004","90","","90","","90","","6545.4","0.2","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP-MeOH","","","- C100 H76 Cl3 Co13.5 N80 O12 -","- C99.984 H75.984 Cl3 Co12 N80.016 O12 -","- C99.984 H75.984 Cl3 Co12 N80.016 O12 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.71073","MoKα","","0.065","0.0593","","","0.169","0.1761","","","","","","1.078","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130450","18.6522","0.0005","18.6522","0.0005","18.6522","0.0005","90","","90","","90","","6489.2","0.3","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP","","","- C109.02 H71.02 Cl3 Co13.44 N63.98 O5.04 -","- C104.016 H56.016 Cl3 Co13.44 N63.984 O5.04 -","- C104.016 H56.016 Cl3 Co13.44 N63.984 O5.04 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.71073","MoKα","","0.061","0.0463","","","0.1099","0.1233","","","","","","1.118","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130451","18.6011","0.0007","18.6011","0.0007","18.6011","0.0007","90","","90","","90","","6436","0.4","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BDTriP-O2","","","- C87.98 H39.98 Cl3 Co13.5 N80.02 O23.62 -","- C87.984 H39.984 Cl3 Co12.912 N80.016 O23.616 -","- C87.984 H39.984 Cl3 Co12.912 N80.016 O23.616 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.71073","MoKα","","0.0701","0.0619","","","0.183","0.1918","","","","","","1.159","","","","has coordinates,has disorder","240879","2020-10-21","18:00:00",""
"4130452","37.4139","0.0016","37.4139","0.0016","37.4139","0.0016","90","","90","","90","","52372","4","100","2","100","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-DMF 100 K","","","- C264 H264 Cl6 Co24 N168 O24 -","- C216 H96 Cl6 Co24 N168 O24 -","- C864 H384 Cl24 Co96 N672 O96 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0768","0.0671","","","0.1996","0.2164","","","","","","1.071","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130453","37.7048","0.0013","37.7048","0.0013","37.7048","0.0013","90","","90","","90","","53603","3","298","2","298","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-DMF 298 K","","","- C264 H264 Cl6 Co24 N168 O24 -","- C216 H96 Cl6 Co24 N168 O24 -","- C864 H384 Cl24 Co96 N672 O96 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0535","0.0481","","","0.1432","0.1506","","","","","","1.104","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130454","18.794","0.0007","18.794","0.0007","18.794","0.0007","90","","90","","90","","6638.3","0.4","100","2","100","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","Co-BTTri-MeOH","","","- C108 H84 Cl3 Co13.5 N72 O12 -","- C108 H84 Cl3 Co12 N72 O12 -","- C108 H84 Cl3 Co12 N72 O12 -","1","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.8856","synchrotron","","0.0706","0.0638","","","0.1891","0.1996","","","","","","1.074","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130455","37.0668","0.001","37.0668","0.001","37.0668","0.001","90","","90","","90","","50928","2","100","2","100","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri","","","- C201 H123 Cl6 Co27.26 N144 O9 -","- C192 H96 Cl6 Co27.264 N144 O9 -","- C768 H384 Cl24 Co109.056 N576 O36 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0418","0.0355","","","0.0966","0.1003","","","","","","1.082","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130456","37.0728","0.0012","37.0728","0.0012","37.0728","0.0012","90","","90","","90","","50953","3","100","2","100","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","Co-BTTri-O2","","","- C192 H96 Cl6 Co27 N144 O48 -","- C192 H96 Cl6 Co24 N144 O48 -","- C768 H384 Cl24 Co96 N576 O192 -","4","0.0208333","","Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R.","Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","22","7161","7170","10.1021/jacs.6b03680","","","0.7749","synchrotron","","0.0627","0.0557","","","0.157","0.1649","","","","","","1.088","","","","has coordinates,has disorder","240880","2020-10-21","18:00:00",""
"4130457","38.554","0.004","38.554","0.004","38.554","0.004","90","","90","","90","","57307","10","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","TPHN-MgMe","","- C0.99 H0.61 O0.2 Zr0.04 -","- C0.987342 H0.455696 O0.202532 Zr0.0379747 -","- C624 H288 O128 Zr24 -","632","3.29167","","Manna, Kuntal; Ji, Pengfei; Greene, Francis X.; Lin, Wenbin","Metal-Organic Framework Nodes Support Single-Site Magnesium-Alkyl Catalysts for Hydroboration and Hydroamination Reactions.","Journal of the American Chemical Society","2016","138","24","7488","7491","10.1021/jacs.6b03689","","","0.41328","","","0.15","0.1132","","","0.3252","0.3402","","","","","","1.258","","","","has coordinates","240881","2020-10-21","18:00:00",""
"4130458","8.0747","0.0006","16.5382","0.0011","10.1107","0.0007","90","","102.931","0.007","90","","1315.95","0.16","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N2 -","- C30 H44 N2 -","- C60 H88 N4 -","2","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","1.54187","CuKα","","0.0688","0.0517","","","0.1254","0.1458","","","","","","1","","","","has coordinates","240882","2020-10-21","18:00:00",""
"4130459","9.165","0.009","8.39","0.007","10.289","0.01","90","","114.241","0.012","90","","721.4","1.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","0.71075","MoKα","","","0.0615","","","","0.189","","","","","","1","","","","has coordinates","240883","2020-10-21","18:00:00",""
"4130460","10.6665","0.0003","8.8035","0.0003","11.6426","0.0004","90","","98.268","0.007","90","","1081.91","0.06","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N2 -","- C26 H36 N2 -","- C52 H72 N4 -","2","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","1.54187","CuKα","","0.0654","0.0537","","","0.1474","0.1557","","","","","","1","","","","has coordinates","240884","2020-10-21","18:00:00",""
"4130461","7.388","0.002","7.625","0.002","9.047","0.003","101.595","0.006","103.106","0.005","99.662","0.004","473.9","0.2","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 N2 -","- C24 H28 N2 -","- C24 H28 N2 -","1","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","0.71075","MoKα","","","0.0802","","","","0.2243","","","","","","1.054","","","","has coordinates","240885","2020-10-21","18:00:00",""
"4130462","7.5541","0.0013","7.9377","0.0015","9.1231","0.0015","102.214","0.013","102.818","0.012","96.828","0.013","513.38","0.16","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H32 N2 -","- C26 H32 N2 -","- C26 H32 N2 -","1","0.5","","Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.","Journal of the American Chemical Society","2016","138","26","8194","8206","10.1021/jacs.6b03749","","","1.54187","CuKα","","","0.0471","","","","0.1412","","","","","","1.002","","","","has coordinates","240886","2020-10-21","18:00:00",""
"4130463","38.445","0.004","13.0221","0.0014","13.658","0.0015","90","","90","","90","","6837.7","1.3","100","0.5","100","0.5","","","","","","","","7","P 21 21 2","P 2 2ab","18","neism18h","","","- C52 H116 Br0.25 Cl1.75 Fe8 Mg1.5 O10 -","- C52 H80 Br0.249 Cl1.751 Fe8 Mg1.5 O10 -","- C208 H320 Br0.996 Cl7.004 Fe32 Mg6 O40 -","4","1","","Muñoz Iii, Salvador B; Daifuku, Stephanie L.; Brennessel, William W.; Neidig, Michael L.","Isolation, Characterization, and Reactivity of Fe8Me12(-): Kochi's S = 1/2 Species in Iron-Catalyzed Cross-Couplings with MeMgBr and Ferric Salts.","Journal of the American Chemical Society","2016","138","24","7492","7495","10.1021/jacs.6b03760","","","0.71073","MoKα","","0.0715","0.0551","","","0.1451","0.156","","","","","","1.028","","","","has coordinates,has disorder","240887","2020-10-21","18:00:00",""
"4130464","10.1461","0.0008","13.3816","0.0011","18.3452","0.0014","95.62","0.003","94.475","0.003","104.537","0.003","2385.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.26 H55.51 Cl8.51 N4 P Ru -","- C41.253 H55.506 Cl8.506 N4 P Ru -","- C82.506 H111.012 Cl17.012 N8 P2 Ru2 -","2","1","","Lee, Juneyoung; Grandner, Jessica M.; Engle, Keary M.; Houk, K. N.; Grubbs, Robert H.","In Situ Catalyst Modification in Atom Transfer Radical Reactions with Ruthenium Benzylidene Complexes.","Journal of the American Chemical Society","2016","138","22","7171","7177","10.1021/jacs.6b03767","","","0.71073","MoKα","","0.0807","0.0597","","","0.1609","0.1749","","","","","","1.047","","","","has coordinates,has disorder","240888","2020-10-21","18:00:00",""
"4130465","9.7563","0.0013","12.9792","0.0017","17.373","0.002","87.744","0.002","73.849","0.002","81.576","0.002","2090.3","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N9 O8 -","- C4 H7 N9 O8 -","- C32 H56 N72 O64 -","8","4","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.1033","0.0496","","","0.1032","0.1252","","","","","","1.013","","","","has coordinates","240889","2020-10-21","18:00:00",""
"4130466","19.255","0.003","8.1379","0.0013","7.8604","0.0013","90","","90","","90","","1231.7","0.3","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H11 N9 O9 -","- C4 H11 N9 O9 -","- C16 H44 N36 O36 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.0271","0.0256","","","0.074","0.0769","","","","","","1.106","","","","has coordinates","240890","2020-10-21","18:00:00",""
"4130467","4.7794","0.0009","16.946","0.003","12.51","0.002","90","","99.82","0.003","90","","998.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N8 O8 -","- C4 H6 N8 O8 -","- C16 H24 N32 O32 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance.","Journal of the American Chemical Society","2016","138","24","7500","7503","10.1021/jacs.6b03819","","","0.71073","MoKα","","0.157","0.0619","","","0.1019","0.1305","","","","","","1.003","","","","has coordinates","240891","2020-10-21","18:00:00",""
"4130468","16.0535","0.0008","23.8893","0.0011","17.5951","0.0008","90","","103.224","0.0013","90","","6568.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C133 H98 Au6 Cl6 P6 S -","- C133 H98 Au6 Cl6 P6 S -","- C266 H196 Au12 Cl12 P12 S2 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0285","0.0247","","","0.054","0.0552","","","","","","1.115","","","","has coordinates,has disorder","240892","2020-10-21","18:00:00",""
"4130469","23.5737","0.0013","23.5737","0.0013","29.204","0.0017","90","","90","","90","","16229.2","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C176 H128 Au10 Cl2 P8 S4 -","- C176 H128 Au10 Cl2 P8 S4 -","- C704 H512 Au40 Cl8 P32 S16 -","4","0.5","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0776","0.0638","","","0.1584","0.1724","","","","","","1.103","","","","has coordinates","240893","2020-10-21","18:00:00",""
"4130470","16.599","0.006","21.904","0.008","24.856","0.01","90","","96.827","0.007","90","","8973","6","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177 H130 Au10 Cl4 P8 S4 -","- C177 H130 Au10 Cl4 P8 S4 -","- C354 H260 Au20 Cl8 P16 S8 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.1209","0.1074","","","0.2552","0.2646","","","","","","1.022","","","","has coordinates,has disorder","240894","2020-10-21","18:00:00",""
"4130471","16.0034","0.0011","23.9493","0.0016","17.4176","0.0012","90","","103.649","0.002","90","","6487.1","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C134 H102 Au6 Cl6 O P6 S -","- C134 H102 Au6 Cl6 O P6 S -","- C268 H204 Au12 Cl12 O2 P12 S2 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.0369","0.0298","","","0.0585","0.0603","","","","","","1.038","","","","has coordinates","240895","2020-10-21","18:00:00",""
"4130472","16.694","0.003","21.993","0.004","24.942","0.005","90","","96.59","0.03","90","","9097","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177 H130 Au10 Cl4 P8 S4 -","- C177 H130 Au10 Cl4 P8 S4 -","- C354 H260 Au20 Cl8 P16 S8 -","2","1","","Yao, Liao-Yuan; Lee, Terence Kwok-Ming; Yam, Vivian Wing-Wah","Thermodynamic-Driven Self-Assembly: Heterochiral Self-Sorting and Structural Reconfiguration in Gold(I)-Sulfido Cluster System.","Journal of the American Chemical Society","2016","138","23","7260","7263","10.1021/jacs.6b03844","","","0.71073","MoKα","","0.1004","0.0909","","","0.2055","0.2107","","","","","","1.035","","","","has coordinates","240896","2020-10-21","18:00:00",""
"4130473","40.9008","0.0015","40.9008","0.0015","40.9008","0.0015","90","","90","","90","","68422","4","100","2","100","2","","","","","","","","8","F 4 3 2","F 4 2 3","209","","","","- C328 H234 F48 Mo12 N48 O105 S16 Zn8 -","- C312 H216 Mo12 N48 O57 Zn8 -","- C1248 H864 Mo48 N192 O228 Zn32 -","4","0.0416667","","Ramsay, William J.; Rizzuto, Felix J.; Ronson, Tanya K.; Caprice, Kenji; Nitschke, Jonathan R.","Subtle Ligand Modification Inverts Guest Binding Hierarchy in M(II)8L6 Supramolecular Cubes.","Journal of the American Chemical Society","2016","138","23","7264","7267","10.1021/jacs.6b03858","","","0.6889","synchrotron","","0.1586","0.1358","","","0.3741","0.3893","","","","","","1.338","","","","has coordinates","240897","2020-10-21","18:00:00",""
"4130474","28.1822","0.0015","28.6098","0.0015","38.033","0.002","72.136","0.003","72.82","0.002","66.502","0.002","26235","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C384 H286 F72 Fe8 Mo12 N75 O100.5 S32 -","- C381.05 H270.35 F62.9 Fe8 Mo12 N74.9999 O91.65 S13.3 -","- C762.1 H540.699 F125.8 Fe16 Mo24 N150 O183.3 S26.6 -","2","1","","Ramsay, William J.; Rizzuto, Felix J.; Ronson, Tanya K.; Caprice, Kenji; Nitschke, Jonathan R.","Subtle Ligand Modification Inverts Guest Binding Hierarchy in M(II)8L6 Supramolecular Cubes.","Journal of the American Chemical Society","2016","138","23","7264","7267","10.1021/jacs.6b03858","","","0.6889","synchrotron","","0.1243","0.0958","","","0.2894","0.3219","","","","","","1.239","","","","has coordinates,has disorder","240898","2020-10-21","18:00:00",""
"4130475","5.1684","0.0001","17.27","0.0004","36.9053","0.0008","90","","90","","90","","3294.1","0.12","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C152 H240 O16 -","8","2","","Lu, Hai-Hua; Pronin, Sergey V.; Antonova-Koch, Yevgeniya; Meister, Stephan; Winzeler, Elizabeth A.; Shenvi, Ryan A.","Synthesis of (+)-7,20-Diisocyanoadociane and Liver-Stage Antiplasmodial Activity of the Isocyanoterpene Class.","Journal of the American Chemical Society","2016","138","23","7268","7271","10.1021/jacs.6b03899","","x-ray","1.54178","CuKα","","0.0334","0.0323","","","0.0884","0.0892","","","","","","1.051","","","","has coordinates","240899","2020-10-21","18:00:00",""
"4130476","13.7509","0.0013","13.7509","0.0013","10.8608","0.0014","90","","90","","120","","1778.5","0.3","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C24 H28 N2 O4 S -","- C24 H28 N2 O4 S -","- C72 H84 N6 O12 S3 -","3","1","","Liu, Yong Ethan; Lu, Zhaole; Li, Bo; Tian, Jiaxin; Liu, Feng; Zhao, Junyu; Hou, Chengkang; Li, Yingkun; Niu, Lili; Zhao, Baoguo","Enzyme-Inspired Axially Chiral Pyridoxamines Armed with a Cooperative Lateral Amine Chain for Enantioselective Biomimetic Transamination.","Journal of the American Chemical Society","2016","138","34","10730","10733","10.1021/jacs.6b03930","","","0.71073","MoKα","","0.0688","0.0539","","","0.1231","0.1318","","","","","","1.043","","","","has coordinates","240900","2020-10-21","18:00:00",""
"4130477","12.3918","0.0006","23.9814","0.0012","18.4258","0.0009","90","","95.529","0.001","90","","5450.2","0.5","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C107 La2 S6 -","- C107 La2 S6 -","- C428 La8 S24 -","4","1","","Cai, Wenting; Li, Fang-Fang; Bao, Lipiao; Xie, Yunpeng; Lu, Xing","Isolation and Crystallographic Characterization of La2C2@Cs(574)-C102 and La2C2@C2(816)-C104: Evidence for the Top-Down Formation Mechanism of Fullerenes.","Journal of the American Chemical Society","2016","138","20","6670","6675","10.1021/jacs.6b03934","","","0.71073","MoKα","","0.1576","0.1323","","","0.3895","0.4123","","","","","","3.3","","","","has coordinates,has disorder","240901","2020-10-21","18:00:00",""
"4130478","24.2162","0.0009","18.0709","0.0007","12.735","0.0005","90","","90","","90","","5572.9","0.4","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C109 H0 La2 N0 Ni0 S6 -","- C109 La2 S6 -","- C436 La8 S24 -","4","0.5","","Cai, Wenting; Li, Fang-Fang; Bao, Lipiao; Xie, Yunpeng; Lu, Xing","Isolation and Crystallographic Characterization of La2C2@Cs(574)-C102 and La2C2@C2(816)-C104: Evidence for the Top-Down Formation Mechanism of Fullerenes.","Journal of the American Chemical Society","2016","138","20","6670","6675","10.1021/jacs.6b03934","","","0.71073","MoKα","","0.1061","0.0794","","","0.2521","0.2801","","","","","","1.156","","","","has coordinates,has disorder","240902","2020-10-21","18:00:00",""
"4130479","40.5861","0.0007","9.6009","0.0002","18.7564","0.0013","90","","100.373","0.007","90","","7189.2","0.6","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H35 B N5 O2 P Ru -","- C44 H35 B N5 O2 P Ru -","- C352 H280 B8 N40 O16 P8 Ru8 -","8","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0544","0.052","","","0.1503","0.1538","","","","","","1.127","","","","has coordinates","240903","2020-10-21","18:00:00",""
"4130480","20.8335","0.0003","12.5143","0.0001","39.2291","0.0006","90","","90","","90","","10227.7","0.2","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C59 H61 B2 N5 O4 P Ru -","- C59 H61 B2 N5 O4 P Ru -","- C472 H488 B16 N40 O32 P8 Ru8 -","8","2","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0739","0.0697","","","0.1875","0.1906","","","","","","1.044","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4130481","18.234","0.0013","12.0654","0.0002","18.1135","0.0013","90","","90.69","0.006","90","","3984.7","0.4","85","2","85","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C49 H46 B N5 P Ru -","- C49 H46 B N5 P Ru -","- C196 H184 B4 N20 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0388","0.0387","","","0.1035","0.1036","","","","","","1.059","","","","has coordinates","240903","2020-10-21","18:00:00",""
"4130482","11.564","0.003","12.7724","0.0002","27.0595","0.0019","90","","101.252","0.011","90","","3919.9","1.1","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H45 B N5 O P Ru -","- C47 H45 B N5 O P Ru -","- C188 H180 B4 N20 O4 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.","Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10378","10381","10.1021/jacs.6b03972","","","1.54178","CuKα","","0.0554","0.0516","","","0.1452","0.1481","","","","","","1.153","","","","has coordinates","240903","2020-10-21","18:00:00",""
"4130483","26.3946","0.0014","11.3169","0.0006","21.4863","0.0012","90","","115.327","0.001","90","","5801.2","0.5","102","2","102","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 O2 Si2 -","- C32 H38 O2 Si2 -","- C256 H304 O16 Si16 -","8","1","","Hua, Yuanda; Asgari, Parham; Avullala, Thirupataiah; Jeon, Junha","Catalytic Reductive ortho-C-H Silylation of Phenols with Traceless, Versatile Acetal Directing Groups and Synthetic Applications of Dioxasilines.","Journal of the American Chemical Society","2016","138","25","7982","7991","10.1021/jacs.6b04018","","","0.71073","MoKα","","0.0517","0.0433","","","0.1609","0.1751","","","","","","1.037","","","","has coordinates","240904","2020-10-21","18:00:00",""
"4130484","20.9653","0.0006","15.2285","0.0004","14.6886","0.0004","90","","90","","90","","4689.6","0.2","90","","90","","","","","","","","","4","P n m a","-P 2ac 2n","62","Ce@C82-CH2(C6H3Me2)-1d/CS2","","","- C92 H11 Ce S2 -","- C92 H11 Ce S2 -","- C368 H44 Ce4 S8 -","4","0.5","","Takano, Yuta; Tashita, Ryo; Suzuki, Mitsuaki; Nagase, Shigeru; Imahori, Hiroshi; Akasaka, Takeshi","Molecular Location Sensing Approach by Anisotropic Magnetism of an Endohedral Metallofullerene.","Journal of the American Chemical Society","2016","138","25","8000","8006","10.1021/jacs.6b04037","","","0.71073","MoKα","","0.1113","0.0986","","","0.266","0.2772","","","","","","1.097","","","","has coordinates,has disorder","240905","2020-10-21","18:00:00",""
"4130485","14.9929","0.0003","9.6072","0.0002","24.7958","0.0005","90","","98.369","0.001","90","","3533.55","0.12","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Co(14TMC)(NO3)(BPh4)","","","- C38 H52 B Co N5 O3 -","- C38 H52 B Co N5 O3 -","- C152 H208 B4 Co4 N20 O12 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Hu, Lianrui; Chen, Jianwei; Park, Young Jun; Yao, Jiannian; Chen, Hui; Karlin, Kenneth D.; Nam, Wonwoo","Factors That Control the Reactivity of Cobalt(III)-Nitrosyl Complexes in Nitric Oxide Transfer and Dioxygenation Reactions: A Combined Experimental and Theoretical Investigation.","Journal of the American Chemical Society","2016","138","24","7753","7762","10.1021/jacs.6b04040","","","0.71073","MoKα","","0.0333","0.0295","","","0.0722","0.0741","","","","","","1.048","","","","has coordinates","240906","2020-10-21","18:00:00",""
"4130486","11.4134","0.0015","20.663","0.003","15.422","0.002","90","","102.95","0.008","90","","3544.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 B F10 O2 P -","- C39 H34 B F10 O2 P -","- C156 H136 B4 F40 O8 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","1.54178","CuKα","","0.0865","0.0524","","","0.1228","0.1391","","","","","","1.065","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130487","11.365","0.0005","14.8236","0.0007","16.1305","0.0007","65.606","0.002","70.053","0.002","77.352","0.002","2316.74","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 B F10 O4 P -","- C41 H36 B F10 O4 P -","- C82 H72 B2 F20 O8 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.0852","0.0572","","","0.1518","0.1648","","","","","","1.048","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130488","9.1467","0.0002","14.6625","0.0003","14.7129","0.0004","90.266","0.001","102.873","0.001","107.489","0.001","1829.24","0.08","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H34 B F10 O P -","- C31 H34 B F10 O P -","- C62 H68 B2 F20 O2 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.1153","0.0863","","","0.2207","0.2398","","","","","","1.073","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130489","12.1821","0.0002","18.7258","0.0003","14.2778","0.0002","90","","105.022","0.001","90","","3145.74","0.09","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B F10 O4 P -","- C31 H32 B F10 O4 P -","- C124 H128 B4 F40 O16 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.0558","0.0481","","","0.1085","0.1153","","","","","","1.039","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130490","10.3933","0.0002","11.7676","0.0002","14.8634","0.0004","104.124","0.001","101.199","0.001","111.497","0.001","1557.12","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 B F10 O P -","- C35 H26 B F10 O P -","- C70 H52 B2 F20 O2 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard","Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.","Journal of the American Chemical Society","2016","138","27","8554","8559","10.1021/jacs.6b04046","","","0.71073","MoKα","","0.0701","0.0579","","","0.1125","0.1217","","","","","","1.083","","","","has coordinates","240907","2020-10-21","18:00:00",""
"4130491","18.4966","0.0004","13.0377","0.0003","19.9791","0.0005","90","","90","","90","","4818.02","0.19","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","octakis(trimethylstibine)tetrapalladium(0)","","- C24 H72 Pd4 Sb8 -","- C24 H72 Pd4 Sb8 -","- C96 H288 Pd16 Sb32 -","4","0.5","","Benjamin, Sophie L.; Krämer, Tobias; Levason, William; Light, Mark E.; Macgregor, Stuart A.; Reid, Gillian","[Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands.","Journal of the American Chemical Society","2016","138","22","6964","6967","10.1021/jacs.6b04060","","x-ray","0.71073","MoKα","","0.0268","0.0246","","","0.0466","0.0474","","","","","","1.01","","","","has coordinates,has disorder","240908","2020-10-21","18:00:00",""
"4130492","9.6504","0.0004","10.0441","0.0003","13.2924","0.0005","90","","103.761","0.004","90","","1251.44","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(dimethylchlorostibine)dichloridoplalladium(II)","","- C8 H24 Cl8 Pd2 Sb4 -","- C8 H24 Cl8 Pd2 Sb4 -","- C16 H48 Cl16 Pd4 Sb8 -","2","0.5","","Benjamin, Sophie L.; Krämer, Tobias; Levason, William; Light, Mark E.; Macgregor, Stuart A.; Reid, Gillian","[Pd4(μ3-SbMe3)4(SbMe3)4]: A Pd(0) Tetrahedron with μ3-Bridging Trimethylantimony Ligands.","Journal of the American Chemical Society","2016","138","22","6964","6967","10.1021/jacs.6b04060","","x-ray","0.71073","MoKα","","0.0238","0.0181","","","0.0357","0.037","","","","","","1.033","","","","has coordinates","240909","2020-10-21","18:00:00",""
"4130493","5.5248","0.001","15.134","0.003","26.429","0.005","90","","95.927","0.008","90","","2198","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Phenethylamino)-1-(pyrrolidin-1-yl)nonan-1-one","","- C21 H35 I N2 O -","- C21 H35 I N2 O -","- C84 H140 I4 N8 O4 -","4","1","","Tona, Veronica; de la Torre, Aurélien; Padmanaban, Mohan; Ruider, Stefan; González, Leticia; Maulide, Nuno","Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides.","Journal of the American Chemical Society","2016","138","27","8348","8351","10.1021/jacs.6b04061","","","1.54178","CuKα","","0.0687","0.0637","","","0.1567","0.1595","","","","","","1.126","","","","has coordinates,has disorder","240910","2020-10-21","18:00:00",""
"4130494","12.3584","0.001","13.1989","0.001","16.1664","0.0012","67.422","0.003","72.456","0.004","78.457","0.003","2311","0.3","130","","130","","","","","","","","","7","P -1","-P 1","2","","1-(5-Methoxy-6-phenethyl-8-oxa-6-azabicyclo[3.2.1] octan-7-ylidene)pyrrolidin-1-ium trifluoromethanesulfonate","","- C20.5 H28 Cl F3 N2 O5 S -","- C20.5 H28 Cl F3 N2 O5 S -","- C82 H112 Cl4 F12 N8 O20 S4 -","4","2","","Tona, Veronica; de la Torre, Aurélien; Padmanaban, Mohan; Ruider, Stefan; González, Leticia; Maulide, Nuno","Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides.","Journal of the American Chemical Society","2016","138","27","8348","8351","10.1021/jacs.6b04061","","","0.71073","MoKα","","0.0731","0.0446","","","0.1111","0.125","","","","","","1.035","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4130495","12.4064","0.0006","13.3489","0.0007","20.4516","0.001","90","","90","","90","","3387","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl10 N3 O2 S -","- C23 H33 Cl10 N3 O2 S -","- C92 H132 Cl40 N12 O8 S4 -","4","1","","Lathrop, Stephen P.; Pompeo, Matthew; Chang, Wen-Tau T; Movassaghi, Mohammad","Convergent and Biomimetic Enantioselective Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2016","138","24","7763","7769","10.1021/jacs.6b04072","","","0.71073","MoKα","","0.0325","0.027","","","0.0594","0.0617","","","","","","1.041","","","","has coordinates","240912","2020-10-21","18:00:00",""
"4130496","14.5823","0.001","16.3674","0.0012","17.4983","0.0012","90","","90","","90","","4176.4","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br F3 N2 O -","- C21 H22 Br F3 N2 O -","- C168 H176 Br8 F24 N16 O8 -","8","2","","Lin, Jin-Shun; Dong, Xiao-Yang; Li, Tao-Tao; Jiang, Na-Chuan; Tan, Bin; Liu, Xin-Yuan","A Dual-Catalytic Strategy To Direct Asymmetric Radical Aminotrifluoromethylation of Alkenes.","Journal of the American Chemical Society","2016","138","30","9357","9360","10.1021/jacs.6b04077","","","1.54178","CuKα","","0.0221","0.022","","","0.0583","0.0585","","","","","","1.063","","","","has coordinates","240913","2020-10-21","18:00:00",""
"4130497","13.84","0.003","26.967","0.005","14.534","0.003","90","","95.3","0.03","90","","5401.2","1.9","123","2","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C119 H152 P4 -","- C119 H152 P4 -","- C238 H304 P8 -","2","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.1407","0.0935","","","0.2463","0.2787","","","","","","1.034","","","","has coordinates","240915","2020-10-21","18:00:00",""
"4130498","30.27","0.006","9.006","0.0018","17.97","0.004","90","","102.24","0.03","90","","4787.5","1.8","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H68 P2 -","- C56 H68 P2 -","- C224 H272 P8 -","4","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.0912","0.0582","","","0.1262","0.1406","","","","","","1.055","","","","has coordinates","240915","2020-10-21","18:00:00",""
"4130499","13.392","0.003","17.887","0.004","15.88","0.003","90","","107.74","0.03","90","","3623.1","1.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H108 K O8 P2 -","- C76 H108 K O8 P2 -","- C152 H216 K2 O16 P4 -","2","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.2061","0.0883","","","0.1865","0.2356","","","","","","1.013","","","","has coordinates,has disorder","240915","2020-10-21","18:00:00",""
"4130500","13.4139","0.0007","13.5562","0.0007","17.2567","0.0009","102.92","0.0015","104.846","0.0014","96.8203","0.0014","2904.4","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H180 K2 O20 P2 -","- C112 H180 K2 O20 P2 -","- C112 H180 K2 O20 P2 -","1","0.5","","Tan, Gengwen; Li, Shuyu; Chen, Sheng; Sui, Yunxia; Zhao, Yue; Wang, Xinping","Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.","Journal of the American Chemical Society","2016","138","21","6735","6738","10.1021/jacs.6b04081","","","0.71073","MoKα","","0.0784","0.0576","","","0.1495","0.1601","","","","","","1.092","","","","has coordinates","240915","2020-10-21","18:00:00",""
"4130501","7.5167","0.0017","11.505","0.003","26.098","0.007","90","","90","","90","","2256.9","1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C88 H160 O16 -","8","2","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.1221","0.0964","","","0.2468","0.2614","","","","","","1.138","","","","has coordinates","240916","2020-10-21","18:00:00",""
"4130502","10.9724","0.0005","13.0726","0.0006","13.9127","0.0007","86.6707","0.0013","70.5014","0.0012","82.1667","0.0012","1863.44","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 N4 Ni -","- C44 H56 N4 Ni -","- C88 H112 N8 Ni2 -","2","1","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.046","0.0384","","","0.1","0.1057","","","","","","1.038","","","","has coordinates,has disorder","240917","2020-10-21","18:00:00",""
"4130503","11.6943","0.0013","12.7969","0.0015","15.8831","0.0015","94.849","0.004","98.732","0.004","113.293","0.004","2130.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H56 F3 N4 Ni O3 S -","- C45 H56 F3 N4 Ni O3 S -","- C90 H112 F6 N8 Ni2 O6 S2 -","2","1","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.1319","0.0794","","","0.1965","0.2254","","","","","","1.057","","","","has coordinates,has disorder","240918","2020-10-21","18:00:00",""
"4130504","11.91","0.002","17.013","0.003","14.078","0.002","90","","109.423","0.005","90","","2690.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 B Cl N P Rh -","- C25 H45 B Cl N P Rh -","- C100 H180 B4 Cl4 N4 P4 Rh4 -","4","1","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0192","0.0179","","","0.0471","0.048","","","","","","1.037","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130505","5.863","0.0007","14.7829","0.0018","19.258","0.002","104.809","0.004","94.491","0.004","90.355","0.004","1608.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 B N -","- C18 H26 B N -","- C72 H104 B4 N4 -","4","2","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0578","0.0449","","","0.118","0.1267","","","","","","1.04","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130506","9.8819","0.0005","10.5352","0.0006","10.9353","0.0006","99.896","0.002","111.336","0.002","107.565","0.002","958.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 B Fe N -","- C22 H30 B Fe N -","- C44 H60 B2 Fe2 N2 -","2","1","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0288","0.0257","","","0.0676","0.0698","","","","","","1.029","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130507","10.05","0.002","11.146","0.004","12.973","0.004","89.147","0.014","76.019","0.012","88.928","0.013","1409.8","0.7","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 B N2 O2 -","- C32 H39 B N2 O2 -","- C64 H78 B2 N4 O4 -","2","1","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0828","0.054","","","0.1218","0.1361","","","","","","1.014","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130508","12.243","0.003","16.865","0.004","14.294","0.005","90","","111.702","0.017","90","","2742.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H90 B0 Cl2 N2 P2 Rh2 -","- C50 H90 B2 Cl2 N2 P2 Rh2 -","- C100 H180 B4 Cl4 N4 P4 Rh4 -","2","0.5","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0199","0.0184","","","0.0446","0.0457","","","","","","0.95","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130509","26.975","0.013","9.754","0.004","11.28","0.007","90","","114.33","0.03","90","","2704","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 B2 N2 -","- C30 H46 B2 N2 -","- C120 H184 B8 N8 -","4","0.5","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0911","0.0499","","","0.0973","0.1135","","","","","","1.023","","","","has coordinates","240919","2020-10-21","18:00:00",""
"4130510","15.57","0.005","15.57","0.005","14.579","0.008","90","","90","","120","","3061","2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H66 B3 N3 O0.15 -","- C42 H66 B3 N3 O0.15 -","- C126 H198 B9 N9 O0.45 -","3","0.333333","","Schäfer, Marius; Beattie, Nicholas A.; Geetharani, K.; Schäfer, Julian; Ewing, William C.; Krahfuß, Mirjam; Hörl, Christian; Dewhurst, Rian D.; Macgregor, Stuart A.; Lambert, Christoph; Braunschweig, Holger","Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes.","Journal of the American Chemical Society","2016","138","26","8212","8220","10.1021/jacs.6b04128","","","0.71073","MoKα","","0.0686","0.0494","","","0.1116","0.12","","","","","","1.06","","","","has coordinates,has disorder","240919","2020-10-21","18:00:00",""
"4130511","12.0529","0.001","12.0529","0.001","7.4996","0.0007","90","","90","","120","","943.52","0.14","123","","123","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C21 H24 Al P -","- C21 H24 Al P -","- C42 H48 Al2 P2 -","2","0.333333","","Knaus, Maximilian G. M.; Giuman, Marco M.; Pöthig, Alexander; Rieger, Bernhard","End of Frustration: Catalytic Precision Polymerization with Highly Interacting Lewis Pairs.","Journal of the American Chemical Society","2016","138","24","7776","7781","10.1021/jacs.6b04129","","x-ray","0.71073","MoKα","","0.0434","0.0384","","","0.092","0.0949","","","","","","1.078","","","","has coordinates","240920","2020-10-21","18:00:00",""
"4130512","21.734","0.002","12.093","0.0012","14.1309","0.0014","90","","125.562","0.001","90","","3021.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 F24 Na O8 Y -","- C20 H4 F24 Na O8 Y -","- C80 H16 F96 Na4 O32 Y4 -","4","0.5","","Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.","Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.","Journal of the American Chemical Society","2016","138","28","8883","8887","10.1021/jacs.6b04194","","","0.71073","MoKα","","0.0496","0.0342","","","0.0739","0.0795","","","","","","1.048","","","","has coordinates","240921","2020-10-21","18:00:00",""
"4130513","21.5879","0.0008","12.1464","0.0005","14.2653","0.0011","90","","125.086","0.001","90","","3060.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 Eu F24 Na O8 -","- C20 H4 Eu F24 Na O8 -","- C80 H16 Eu4 F96 Na4 O32 -","4","0.5","","Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.","Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.","Journal of the American Chemical Society","2016","138","28","8883","8887","10.1021/jacs.6b04194","","","1.54178","CuKα","","0.0324","0.0322","","","0.0861","0.0863","","","","","","1.047","","","","has coordinates,has disorder","240921","2020-10-21","18:00:00",""
"4130514","21.789","0.002","12.0958","0.0011","14.096","0.003","90","","125.614","0.001","90","","3020.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 Er F24 Na O8 -","- C20 H4 Er F24 Na O8 -","- C80 H16 Er4 F96 Na4 O32 -","4","0.5","","Barry, Matthew C.; Wei, Zheng; He, Tianyu; Filatov, Alexander S.; Dikarev, Evgeny V.","Volatile Single-Source Precursors for the Low-Temperature Preparation of Sodium-Rare Earth Metal Fluorides.","Journal of the American Chemical Society","2016","138","28","8883","8887","10.1021/jacs.6b04194","","","0.71073","MoKα","","0.019","0.0165","","","0.0386","0.0396","","","","","","1.084","","","","has coordinates","240921","2020-10-21","18:00:00",""
"4130515","5.8337","0.0004","14.6798","0.001","20.8894","0.0015","90","","90","","90","","1788.9","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.0342","0.033","","","0.084","0.0846","","","","","","1.11","","","","has coordinates","240922","2020-10-21","18:00:00",""
"4130516","6.0546","0.0006","15.0183","0.0016","18.7832","0.0019","90","","90","","90","","1708","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Cl O2 -","- C21 H19 Cl O2 -","- C84 H76 Cl4 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.0357","0.0315","","","0.0761","0.0795","","","","","","1.047","","","","has coordinates","240923","2020-10-21","18:00:00",""
"4130517","9.4271","0.0001","6.00798","0.00004","29.03","0.0002","90","","93.1504","0.0008","90","","1641.71","0.02","120","2","120","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.027","0.027","","","0.0692","0.0692","","","","","","1.079","","","","has coordinates","240924","2020-10-21","18:00:00",""
"4130518","24.0701","0.0006","24.0701","0.0006","12.2447","0.0005","90","","90","","120","","6143.8","0.3","120","2","120","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C17 H16 O -","- C17 H16 O -","- C306 H288 O18 -","18","2","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.057","0.0521","","","0.1559","0.1618","","","","","","1.072","","","","has coordinates","240925","2020-10-21","18:00:00",""
"4130519","11.1793","0.0002","11.1793","0.0002","16.6946","0.0008","90","","90","","120","","1806.91","0.1","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H18 F12 Mg N6 P2 -","- C12 H18 F12 Mg N6 P2 -","- C36 H54 F36 Mg3 N18 P6 -","3","0.166667","","Keyzer, Evan N.; Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Dutton, Siân E; Grey, Clare P.; Wright, Dominic S.","Mg(PF6)2-Based Electrolyte Systems: Understanding Electrolyte-Electrode Interactions for the Development of Mg-Ion Batteries.","Journal of the American Chemical Society","2016","138","28","8682","8685","10.1021/jacs.6b04319","","","1.54178","CuKα","","0.0426","0.0354","","","0.0831","0.0874","","","","","","1.105","","","","has coordinates","240926","2020-10-21","18:00:00",""
"4130520","27.8633","0.0018","19.6876","0.0013","14.3635","0.0009","90","","121.019","0.002","90","","6752.5","0.8","100","2","99.99","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H61 F18 N7 P3 -","- C64 H61 F18 N7 P3 -","- C256 H244 F72 N28 P12 -","4","0.5","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.1135","0.1005","","","0.2952","0.3082","","","","","","1.106","","","","has coordinates,has disorder","240927","2020-10-21","18:00:00",""
"4130521","16.64","0.004","16.71","0.003","17.16","0.004","75.037","0.013","70.814","0.013","62.956","0.014","3980","1.6","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H62 F24 N7 P4 -","- C59 H62 F24 N7 P4 -","- C118 H124 F48 N14 P8 -","2","1","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.1916","0.1078","","","0.2756","0.3129","","","","","","0.929","","","","has coordinates,has disorder","240928","2020-10-21","18:00:00",""
"4130522","9.938","0.002","13.616","0.003","14.482","0.003","113.563","0.006","99.933","0.007","101.953","0.007","1684.6","0.6","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H72 F18 N8 P3 -","- C70 H72 F18 N8 P3 -","- C70 H72 F18 N8 P3 -","1","0.5","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.0313","0.031","","","0.0821","0.0824","","","","","","1.039","","","","has coordinates","240929","2020-10-21","18:00:00",""
"4130523","16.6492","0.0007","19.7296","0.0009","22.6647","0.001","90","","95.147","0.003","90","","7414.9","0.6","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C146 H151 F42 N21 P7 -","- C146 H151 F42 N21 P7 -","- C292 H302 F84 N42 P14 -","2","0.5","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.0909","0.0582","","","0.1523","0.1747","","","","","","1.033","","","","has coordinates,has disorder","240930","2020-10-21","18:00:00",""
"4130524","13.8924","0.0009","19.3041","0.0011","28.5592","0.0017","87.962","0.004","83.733","0.004","75.084","0.004","7356.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H64.5 F24 N8.5 P4 -","- C61 H64.5 F24 N8.5 P4 -","- C244 H258 F96 N34 P16 -","4","2","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.1754","0.1187","","","0.3038","0.3391","","","","","","1.114","","","","has coordinates,has disorder","240931","2020-10-21","18:00:00",""
"4130525","13.9238","0.0014","18.0258","0.0017","19.2008","0.0018","87.542","0.005","74.7","0.006","83.934","0.006","4621.8","0.8","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H78 F30 N12 P5 -","- C72 H78 F30 N12 P5 -","- C144 H156 F60 N24 P10 -","2","1","","Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes.","Journal of the American Chemical Society","2016","138","26","8288","8300","10.1021/jacs.6b04343","","","1.54178","CuKα","","0.2417","0.1656","","","0.4604","0.5072","","","","","","1.7","","","","has coordinates,has disorder","240932","2020-10-21","18:00:00",""
"4130526","15.1698","0.0003","23.0713","0.0005","30.3293","0.0007","90","","96.032","0.002","90","","10556.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H124 Bi7.68 K3 N6 O18 Pb5.98 U -","- C68 H124 Bi7.6808 K3 N6 O18 Pb5.9786 U -","- C272 H496 Bi30.7232 K12 N24 O72 Pb23.9144 U4 -","4","1","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.0894","0.045","","","0.0584","0.0653","","","","","","1.151","","","","has coordinates","240933","2020-10-21","18:00:00",""
"4130527","31.7268","0.0006","39.3976","0.0012","16.698","0.0003","90","","90","","90","","20871.8","0.8","100","2","100","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C64 H84 Bi12 K3 N9 O18 U -","- C39.5 H73 Bi12 K3 N5 O10.5 U -","- C316 H584 Bi96 K24 N40 O84 U8 -","8","2","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.1206","0.0585","","","0.0859","0.0935","","","","","","0.979","","","","has coordinates","240934","2020-10-21","18:00:00",""
"4130528","14.6092","0.0004","21.8659","0.0005","16.3877","0.0005","90","","106.917","0.002","90","","5008.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C63 H124 Bi11 K3 N8 O18 Tl2 U -","- C62.5 H124 Bi11 K3 N8 O18 Tl2 U -","- C125 H248 Bi22 K6 N16 O36 Tl4 U2 -","2","0.5","","Lichtenberger, Niels; Wilson, Robert J.; Eulenstein, Armin R.; Massa, Werner; Clérac, Rodolphe; Weigend, Florian; Dehnen, Stefanie","Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U(4+) Inclusion Into Bi, Tl/Bi, or Pb/Bi Cages.","Journal of the American Chemical Society","2016","138","29","9033","9036","10.1021/jacs.6b04363","","","0.71073","MoKα","","0.0797","0.056","","","0.1198","0.1275","","","","","","1.185","","","","has coordinates,has disorder","240935","2020-10-21","18:00:00",""
"4130529","9.7547","0.0003","12.6902","0.0003","17.196","0.0004","90","","90","","90","","2128.68","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Guo, Chang; Fleige, Mirco; Janssen-Müller, Daniel; Daniliuc, Constantin G.; Glorius, Frank","Cooperative N-Heterocyclic Carbene/Palladium-Catalyzed Enantioselective Umpolung Annulations.","Journal of the American Chemical Society","2016","138","25","7840","7843","10.1021/jacs.6b04364","","","1.54178","CuKα","","0.0357","0.032","","","0.074","0.0761","","","","","","1.079","","","","has coordinates","240936","2020-10-21","18:00:00",""
"4130530","29.2365","0.0015","33.0466","0.0016","32.1833","0.0015","90","","91.677","0.004","90","","31081","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H30 F42 N6 O12 -","- C102 H30 F42 N6 O12 -","- C816 H240 F336 N48 O96 -","8","1","","Meng, Dong; Fu, Huiting; Xiao, Chengyi; Meng, Xiangyi; Winands, Thorsten; Ma, Wei; Wei, Wei; Fan, Bingbing; Huo, Lijun; Doltsinis, Nikos L.; Li, Yan; Sun, Yanming; Wang, Zhaohui","Three-Bladed Rylene Propellers with Three-Dimensional Network Assembly for Organic Electronics.","Journal of the American Chemical Society","2016","138","32","10184","10190","10.1021/jacs.6b04368","","","1.54184","CuKα","","0.2928","0.1947","","","0.4437","0.5012","","","","","","1.114","","","","has coordinates","240937","2020-10-21","18:00:00",""
"4130531","24.871","0.005","40.663","0.008","31.272","0.006","90","","102.71","0.03","90","","30851","11","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H150 N6 O12 Se3 -","- C78 N6 O12 Se3 -","- C624 N48 O96 Se24 -","8","1","","Meng, Dong; Fu, Huiting; Xiao, Chengyi; Meng, Xiangyi; Winands, Thorsten; Ma, Wei; Wei, Wei; Fan, Bingbing; Huo, Lijun; Doltsinis, Nikos L.; Li, Yan; Sun, Yanming; Wang, Zhaohui","Three-Bladed Rylene Propellers with Three-Dimensional Network Assembly for Organic Electronics.","Journal of the American Chemical Society","2016","138","32","10184","10190","10.1021/jacs.6b04368","","","0.71073","MoKα","","0.3327","0.1772","","","0.4266","0.4982","","","","","","0.99","","","","has coordinates","240938","2020-10-21","18:00:00",""
"4130532","13.386","0.001","13.874","0.002","17.401","0.001","91.797","0.002","109.34","0.03","109.77","0.02","2831.9","0.9","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C92.4 H105.6 F15.6 N2 O33.2 P8 -","- C92 H104 F15 N2 O33 P8 -","- C92 H104 F15 N2 O33 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0877","0.0849","","","0.2358","0.2399","","","","","","1.033","","","","has coordinates,has disorder","240939","2020-10-21","18:00:00",""
"4130533","13.174","0.001","14.676","0.002","16.965","0.001","67.422","0.003","71.903","0.002","82.706","0.002","2878.7","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C92 H108.9 Cl2 F18.9 N2 O33.8 P8 -","- C92 H109.3 Cl2 F18.9 N2 O33.8 P8 -","- C92 H109.3 Cl2 F18.9 N2 O33.8 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0763","0.0745","","","0.2127","0.2161","","","","","","1.034","","","","has coordinates,has disorder","240940","2020-10-21","18:00:00",""
"4130534","12.132","0.002","14.541","0.001","15.468","0.001","90.106","0.002","81.165","0.003","84.626","0.002","2684.1","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C94 H112 F18 N2 O36 P8 -","- C94 H112 F18 N2 O36 P8 -","- C94 H112 F18 N2 O36 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0714","0.0631","","","0.1721","0.1811","","","","","","1.036","","","","has coordinates","240942","2020-10-21","18:00:00",""
"4130535","22.28","0.01","18.09","0.01","24.96","0.01","90","","106.28","0.02","90","","9657","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C170.8 H192.9 F22.55 N3.8 O70.5 P16 -","- C170.8 H192.9 F22.55 N3.8 O70.5 P16 -","- C341.6 H385.8 F45.1 N7.6 O141 P32 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.2891","0.1397","","","0.306","0.3501","","","","","","0.989","","","","has coordinates,has disorder","240943","2020-10-21","18:00:00",""
"4130536","11.93","0.002","17.817","0.001","12.515","0.003","90","","95.225","0.004","90","","2649.1","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H54 F9 N O18 P4 -","- C46 H54 F9 N O18 P4 -","- C92 H108 F18 N2 O36 P8 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.6","","","0.0512","0.0489","","","0.1351","0.1371","","","","","","1.038","","","","has coordinates,has disorder","240944","2020-10-21","18:00:00",""
"4130537","12.78","0.01","14.37","0.01","18.31","0.01","70.09","0.02","69.92","0.01","69.68","0.02","2867","3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","- C96.2 H111.3 F21.3 N2 O37.1 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0718","0.0712","","","0.1947","0.1958","","","","","","1.054","","","","has coordinates,has disorder","240945","2020-10-21","18:00:00",""
"4130538","12.65","0.01","18.35","0.01","26.59","0.01","81.38","0.02","84.56","0.03","70.12","0.02","5732","6","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C192 H228 F48 N4 O72.4 P16 -","- C192 H227.65 F48 N4 O72.05 P16 -","- C192 H227.65 F48 N4 O72.05 P16 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0634","0.0605","","","0.1632","0.1676","","","","","","1.038","","","","has coordinates,has disorder","240946","2020-10-21","18:00:00",""
"4130539","17.315","0.005","34.061","0.004","17.316","0.005","90","","90.201","0.005","90","","10212","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H84 Cl N6 O25.8 P4 -","- C79 H84 Cl N6 O25.8 P4 -","- C316 H336 Cl4 N24 O103.2 P16 -","4","0.5","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.79999","","","0.1642","0.1274","","","0.3884","0.4265","","","","","","1.638","","","","has coordinates,has disorder","240947","2020-10-21","18:00:00",""
"4130540","12.99","0.01","15.33","0.01","16.81","0.01","115.32","0.02","99.27","0.03","100.53","0.02","2865","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H58.25 Cl F8.25 N O17.75 P4 -","- C47.5 H58.25 Cl F8.25 N O17.75 P4 -","- C95 H116.5 Cl2 F16.5 N2 O35.5 P8 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0688","0.0662","","","0.1784","0.1806","","","","","","1.037","","","","has coordinates,has disorder","240948","2020-10-21","18:00:00",""
"4130541","12.859","0.0001","26.902","0.0001","17.078","0.0001","90","","109.58","0.03","90","","5566.2","1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C95.2 H117.8 Cl2 F13.8 N2 O33.15 P8 -","- C95.2 H117.8 Cl2 F13.8 N2 O33.15 P8 -","- C190.4 H235.6 Cl4 F27.6 N4 O66.3 P16 -","2","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.69999","","","0.1049","0.0818","","","0.2087","0.2306","","","","","","1.017","","","","has coordinates,has disorder","240949","2020-10-21","18:00:00",""
"4130542","12.37","0.01","13.26","0.01","17.96","0.01","69.97","0.02","78.83","0.03","82.15","0.02","2707","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C98 H108 Cl2 F12 N2 O34.15 P8 -","- C98 H108 Cl2 F12 N2 O34.15 P8 -","- C98 H108 Cl2 F12 N2 O34.15 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","x-ray","0.7","","","0.0565","0.0561","","","0.1457","0.146","","","","","","1.048","","","","has coordinates,has disorder","240950","2020-10-21","18:00:00",""
"4130543","12.779","0.002","17.178","0.001","17.193","0.002","65.681","0.003","70.396","0.002","73.262","0.002","3190.2","0.7","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C95.2 H113.8 Cl2 F25.8 N2 O36.6 P8 -","- C95.4 H114.1 Cl2 F26.1 N2 O36.7 P8 -","- C95.4 H114.1 Cl2 F26.1 N2 O36.7 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0673","0.0662","","","0.1847","0.186","","","","","","1.063","","","","has coordinates,has disorder","240951","2020-10-21","18:00:00",""
"4130544","11.99","0.01","12.82","0.01","17.65","0.01","87.99","0.02","87.73","0.03","83.4","0.01","2692","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C88 H101 F15 N2 O33 P8 S2 -","- C88 H101 F15 N2 O33 P8 S2 -","- C88 H101 F15 N2 O33 P8 S2 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0688","0.0684","","","0.1918","0.1922","","","","","","1.144","","","","has coordinates,has disorder","240952","2020-10-21","18:00:00",""
"4130545","12.59","0.01","15.96","0.01","16.97","0.01","93.69","0.02","107.73","0.03","105.58","0.02","3089","4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","- C98.9 H122.35 Cl2 F22.35 N2 O37.45 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.0582","0.0578","","","0.1708","0.1713","","","","","","1.043","","","","has coordinates","240953","2020-10-21","18:00:00",""
"4130546","13.19","0.01","13.77","0.01","17.91","0.01","95.67","0.01","110.4","0.02","109","0.02","2799","3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C82.5 H92.75 F6.75 N2 O32.25 P8 -","- C82.5 H89.75 F6.75 N2 O32.25 P8 -","- C82.5 H89.75 F6.75 N2 O32.25 P8 -","1","1","","Pinalli, Roberta; Brancatelli, Giovanna; Pedrini, Alessandro; Menozzi, Daniela; Hernández, Daniel; Ballester, Pablo; Geremia, Silvano; Dalcanale, Enrico","The Origin of Selectivity in the Complexation of N-Methyl Amino Acids by Tetraphosphonate Cavitands.","Journal of the American Chemical Society","2016","138","27","8569","8580","10.1021/jacs.6b04372","","","0.7","","","0.1321","0.114","","","0.3305","0.3496","","","","","","1.411","","","","has coordinates","240954","2020-10-21","18:00:00",""
"4130547","9.4218","0.0011","9.4218","0.0011","41.184","0.005","90","","90","","120","","3166.1","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P 65","P 65","170","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C144 H108 Br6 N6 O18 S6 -","6","1","","Wang, Qiang; Li, Tian-Ren; Lu, Liang-Qiu; Li, Miao-Miao; Zhang, Kai; Xiao, Wen-Jing","Catalytic Asymmetric [4 + 1] Annulation of Sulfur Ylides with Copper-Allenylidene Intermediates.","Journal of the American Chemical Society","2016","138","27","8360","8363","10.1021/jacs.6b04414","","","0.71073","MoKα","","0.0879","0.0564","","","0.1079","0.1201","","","","","","1.142","","","","has coordinates","240955","2020-10-21","18:00:00",""
"4130548","11.638","0.005","9.695","0.003","28.574","0.01","90","","96.741","0.011","90","","3202","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 O4 S2 -","- C37 H32 N2 O4 S2 -","- C148 H128 N8 O16 S8 -","4","1","","Wang, Qiang; Li, Tian-Ren; Lu, Liang-Qiu; Li, Miao-Miao; Zhang, Kai; Xiao, Wen-Jing","Catalytic Asymmetric [4 + 1] Annulation of Sulfur Ylides with Copper-Allenylidene Intermediates.","Journal of the American Chemical Society","2016","138","27","8360","8363","10.1021/jacs.6b04414","","","0.71073","MoKα","","0.2009","0.0699","","","0.1038","0.1371","","","","","","1.023","","","","has coordinates","240956","2020-10-21","18:00:00",""
"4130549","21.7706","0.0005","10.2389","0.0003","17.6237","0.0004","90","","112.03","0.002","90","","3641.62","0.17","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C54 H38 -","- C54 H38 -","- C216 H152 -","4","1","","Liu, Junzhi; Osella, Silvio; Ma, Ji; Berger, Reinhard; Beljonne, David; Schollmeyer, Dieter; Feng, Xinliang; Müllen, Klaus","Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons.","Journal of the American Chemical Society","2016","138","27","8364","8367","10.1021/jacs.6b04426","","","0.71073","MoKα","","0.0795","0.0681","","","0.1914","0.2049","","","","","","1.012","","","","has coordinates","240957","2020-10-21","18:00:00",""
"4130550","11.7932","0.0007","18.2962","0.001","20.0268","0.0012","107.388","0.004","93.328","0.005","96.709","0.004","4075.7","0.4","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H40 Cl2 -","- C54 H40 Cl2 -","- C216 H160 Cl8 -","4","2","","Liu, Junzhi; Osella, Silvio; Ma, Ji; Berger, Reinhard; Beljonne, David; Schollmeyer, Dieter; Feng, Xinliang; Müllen, Klaus","Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons.","Journal of the American Chemical Society","2016","138","27","8364","8367","10.1021/jacs.6b04426","","","1.54178","CuKα","","0.1705","0.0688","","","0.1638","0.2249","","","","","","0.858","","","","has coordinates,has disorder","240958","2020-10-21","18:00:00",""
"4130551","9.0142","0.00014","10.94112","0.00014","38.4416","0.0006","90","","90","","90","","3791.32","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(/aMe)Val(-OtBu)-FUM-(Aib)4-Gly-NH2","","","- C32 H55 N7 O9 -","- C32 H55 N7 O9 -","- C128 H220 N28 O36 -","4","1","","Mazzier, Daniela; Crisma, Marco; De Poli, Matteo; Marafon, Giulia; Peggion, Cristina; Clayden, Jonathan; Moretto, Alessandro","Helical Foldamers Incorporating Photoswitchable Residues for Light-Mediated Modulation of Conformational Preference.","Journal of the American Chemical Society","2016","138","25","8007","8018","10.1021/jacs.6b04435","","","1.54178","CuKα","","0.0438","0.0406","","","0.1098","0.1126","","","","","","1.031","","","","has coordinates","240959","2020-10-21","18:00:00",""
"4130552","12.78876","0.00014","21.3074","0.0002","42.2055","0.0006","90","","90","","90","","11500.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(/aMe)Val(-OtBu)-MAL-Aib-OMe","","","- C19 H32 N2 O6 -","- C19 H32 N2 O6 -","- C380 H640 N40 O120 -","20","5","","Mazzier, Daniela; Crisma, Marco; De Poli, Matteo; Marafon, Giulia; Peggion, Cristina; Clayden, Jonathan; Moretto, Alessandro","Helical Foldamers Incorporating Photoswitchable Residues for Light-Mediated Modulation of Conformational Preference.","Journal of the American Chemical Society","2016","138","25","8007","8018","10.1021/jacs.6b04435","","","1.54178","CuKα","","0.0601","0.0525","","","0.1481","0.1558","","","","","","1.044","","","","has coordinates","240960","2020-10-21","18:00:00",""
"4130553","30.5957","0.0007","30.5957","0.0007","30.7966","0.0008","90","","90","","120","","24966.3","1","173","0.14","173","0.14","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C336 H210 Ag30 Au80 Cl15 -","- C336 H210 Ag30 Au80 Cl15 -","- C672 H420 Ag60 Au160 Cl30 -","2","0.166667","","Zeng, Jiu-Lian; Guan, Zong-Jie; Du, Yang; Nan, Zi-Ang; Lin, Yu-Mei; Wang, Quan-Ming","Chloride-Promoted Formation of a Bimetallic Nanocluster Au80Ag30 and the Total Structure Determination.","Journal of the American Chemical Society","2016","138","25","7848","7851","10.1021/jacs.6b04471","","","1.54184","CuKα","","0.1086","0.0801","","","0.2457","0.267","","","","","","1.209","","","","has coordinates,has disorder","240961","2020-10-21","18:00:00",""
"4130554","24.0438","0.001","11.127","0.0008","26.6039","0.0014","90","","92.549","0.004","90","","7110.4","0.7","253","","253","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H60 N4 O4 -","- C68 H60 N4 O4 -","- C272 H240 N16 O16 -","4","1","","Das, Soumyajit; Herng, Tun Seng; Zafra, José L; Burrezo, Paula Mayorga; Kitano, Masaaki; Ishida, Masatoshi; Gopalakrishna, Tullimilli Y.; Hu, Pan; Osuka, Atsuhiro; Casado, Juan; Ding, Jun; Casanova, David; Wu, Jishan","Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters.","Journal of the American Chemical Society","2016","138","24","7782","7790","10.1021/jacs.6b04539","","","1.54178","CuKα","","0.183","0.0775","","","0.195","0.2489","","","","","","0.934","","","","has coordinates,has disorder","240962","2020-10-21","18:00:00",""
"4130555","38.523","0.0006","38.523","0.0006","14.3978","0.0003","90","","90","","90","","21366.6","0.6","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C123 H114 N6 O6 -","- C123 H114 N6 O6 -","- C984 H912 N48 O48 -","8","1","","Das, Soumyajit; Herng, Tun Seng; Zafra, José L; Burrezo, Paula Mayorga; Kitano, Masaaki; Ishida, Masatoshi; Gopalakrishna, Tullimilli Y.; Hu, Pan; Osuka, Atsuhiro; Casado, Juan; Ding, Jun; Casanova, David; Wu, Jishan","Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters.","Journal of the American Chemical Society","2016","138","24","7782","7790","10.1021/jacs.6b04539","","","0.71075","MoKα","","0.1733","0.1179","","","0.3424","0.3812","","","","","","1.343","","","","has coordinates,has disorder","240963","2020-10-21","18:00:00",""
"4130556","5.7473","0.0002","25.7792","0.0007","15.3715","0.0004","90","","90.0512","0.0013","90","","2277.45","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C104 H112 N16 O8 -","8","4","","Friis, Stig D.; Pirnot, Michael T.; Buchwald, Stephen L.","Asymmetric Hydroarylation of Vinylarenes Using a Synergistic Combination of CuH and Pd Catalysis.","Journal of the American Chemical Society","2016","138","27","8372","8375","10.1021/jacs.6b04566","","","1.54178","CuKα","","0.0304","0.03","","","0.0787","0.0793","","","","","","1.028","","","","has coordinates","240965","2020-10-21","18:00:00",""
"4130557","9.4441","0.0017","9.3924","0.0018","44.328","0.008","90","","90","","90","","3932","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl N2 O -","- C23 H21 Cl N2 O -","- C184 H168 Cl8 N16 O8 -","8","1","","Gerry, Christopher J.; Hua, Bruce K.; Wawer, Mathias J.; Knowles, Jonathan P.; Nelson, Jr, Shawn D; Verho, Oscar; Dandapani, Sivaraman; Wagner, Bridget K.; Clemons, Paul A.; Booker-Milburn, Kevin I; Boskovic, Zarko V.; Schreiber, Stuart L.","Real-Time Biological Annotation of Synthetic Compounds.","Journal of the American Chemical Society","2016","138","28","8920","8927","10.1021/jacs.6b04614","","","0.71073","MoKα","","0.0803","0.057","","","0.1104","0.1183","","","","","","1.129","","","","has coordinates,has disorder","240966","2020-10-21","18:00:00",""
"4130558","8.57","0.05","10.21","0.03","16.63","0.06","90","","98.84","0.12","90","","1438","11","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H30 O5 P2 -","- C33 H30 O5 P2 -","- C66 H60 O10 P4 -","2","1","","Huang, Zhijian; Huang, Xuan; Li, Baosheng; Mou, Chengli; Yang, Song; Song, Bao-An; Chi, Yonggui Robin","Access to P-Stereogenic Phosphinates via N-Heterocyclic Carbene-Catalyzed Desymmetrization of Bisphenols.","Journal of the American Chemical Society","2016","138","24","7524","7527","10.1021/jacs.6b04624","","","0.71073","MoKα","","0.082","0.0586","","","0.1071","0.1196","","","","","","1.028","","","","has coordinates","240967","2020-10-21","18:00:00",""
"4130559","14.7211","0.0009","7.1449","0.0004","23.5913","0.0014","90","","90.528","0.004","90","","2481.2","0.3","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H21 Br2 O6 P -","- C26 H21 Br2 O6 P -","- C104 H84 Br8 O24 P4 -","4","1","","Huang, Zhijian; Huang, Xuan; Li, Baosheng; Mou, Chengli; Yang, Song; Song, Bao-An; Chi, Yonggui Robin","Access to P-Stereogenic Phosphinates via N-Heterocyclic Carbene-Catalyzed Desymmetrization of Bisphenols.","Journal of the American Chemical Society","2016","138","24","7524","7527","10.1021/jacs.6b04624","","","0.71073","MoKα","","0.1329","0.0623","","","0.1304","0.1711","","","","","","1.012","","","","has coordinates,has disorder","240968","2020-10-21","18:00:00",""
"4130560","17.85","0.003","17.85","0.003","13.064","0.002","90","","90","","120","","3604.8","1","90","2","90","2","","","","","","","","9","P 63","P 6c","173","","","","- C36 H70 Au3 Ca Cl9 Cu6 N6 O30 S6 -","- C36 H48 Au3 Ca Cl3 Cu6 N6 O22 S6 -","- C72 H96 Au6 Ca2 Cl6 Cu12 N12 O44 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.192","0.1207","","","0.3191","0.3492","","","","","","1.005","","","","has coordinates","240969","2020-10-21","18:00:00",""
"4130561","17.7992","0.0016","17.7992","0.0016","12.7145","0.0016","90","","90","","120","","3488.4","0.6","90","2","90","2","","","","","","","","7","P 63","P 6c","173","","","","- C36 H84 Ca Cu6 N6 O37 S6 -","- C36 H48 Ca Cu6 N6 O37 S6 -","- C72 H96 Ca2 Cu12 N12 O74 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.1492","0.089","","","0.2421","0.2911","","","","","","1.03","","","","has coordinates","240970","2020-10-21","18:00:00",""
"4130562","17.7487","0.0012","17.7487","0.0012","12.695","0.0012","90","","90","","120","","3463.4","0.5","90","2","90","2","","","","","","","","9","P 63","P 6c","173","","","","- C39 H70 Au2 Ca Cl2 Cu6 N6 O27 S6 -","- C39 H48 Au1.9998 Ca Cl2.0001 Cu6 N6 O27 S6 -","- C78 H96 Au3.9996 Ca2 Cl4.0002 Cu12 N12 O54 S12 -","2","0.333333","","Mon, Marta; Ferrando-Soria, Jesús; Grancha, Thais; Fortea-Pérez, Francisco R; Gascon, Jorge; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","25","7864","7867","10.1021/jacs.6b04635","","","0.71073","MoKα","","0.1772","0.1162","","","0.3188","0.3687","","","","","","1.065","","","","has coordinates","240971","2020-10-21","18:00:00",""
"4130563","13.2003","0.0006","12.3054","0.0006","15.2936","0.0007","90","","109.297","0.001","90","","2344.65","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holpg04","","","- C50 H66 Cl2 Fe2 N4 -","- C50 H66 Cl2 Fe2 N4 -","- C100 H132 Cl4 Fe4 N8 -","2","0.5","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0951","0.0525","","","0.1288","0.1506","","","","","","1.046","","","","has coordinates","240972","2020-10-21","18:00:00",""
"4130564","8.2811","0.0006","16.2945","0.0012","20.4576","0.0016","90","","96.811","0.002","90","","2741","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","holpg01","","","- C29 H41 Cl Fe N2 O -","- C29 H41 Cl Fe N2 O -","- C116 H164 Cl4 Fe4 N8 O4 -","4","1","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0551","0.037","","","0.0902","0.0993","","","","","","1.042","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130565","13.2514","0.0013","11.7781","0.0012","15.3265","0.0015","90","","110.665","0.002","90","","2238.2","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holpg07","","","- C50 H68 Fe2 N4 -","- C50 H68 Fe2 N4 -","- C100 H136 Fe4 N8 -","2","0.5","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0937","0.0527","","","0.1228","0.1435","","","","","","1.037","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130566","8.3664","0.0005","10.6963","0.0007","23.4901","0.0015","89.191","0.001","88.782","0.001","82.439","0.001","2083.2","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","holpg10","","","- C50 H66 Fe2 N4 -","- C50 H66 Fe2 N4 -","- C100 H132 Fe4 N8 -","2","1","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.1005","0.0539","","","0.1166","0.1363","","","","","","1.019","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130567","12.1883","0.0011","14.4703","0.0013","14.9963","0.0014","90","","91.732","0.002","90","","2643.7","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holpg14","","","- C62 H76 Fe2 N6 -","- C62 H76 Fe2 N6 -","- C124 H152 Fe4 N12 -","2","0.5","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0907","0.0492","","","0.1084","0.1283","","","","","","1.018","","","","has coordinates","240972","2020-10-21","18:00:00",""
"4130568","17.139","0.002","19.714","0.003","20.122","0.003","90","","96.11","0.003","90","","6760.2","1.6","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holsc30","","","- C79 H94 Fe2 N8 -","- C79 H94 Fe2 N8 -","- C316 H376 Fe8 N32 -","4","1","","Bellows, Sarina M.; Arnet, Nicholas A.; Gurubasavaraj, Prabhuodeyara M.; Brennessel, William W.; Bill, Eckhard; Cundari, Thomas R.; Holland, Patrick L.","The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex.","Journal of the American Chemical Society","2016","138","37","12112","12123","10.1021/jacs.6b04654","","","0.71073","MoKα","","0.0861","0.0504","","","0.1249","0.1375","","","","","","1.037","","","","has coordinates,has disorder","240972","2020-10-21","18:00:00",""
"4130569","6.2719","0.0002","9.7785","0.0003","10.0673","0.0004","115.426","0.001","93.829","0.001","100.896","0.001","539.9","0.03","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","1","1","","Xiao, Kai-Jiong; Chu, Ling; Chen, Gang; Yu, Jin-Quan","Kinetic Resolution of Benzylamines via Palladium(II)-Catalyzed C-H Cross-Coupling.","Journal of the American Chemical Society","2016","138","24","7796","7800","10.1021/jacs.6b04660","","x-ray","0.71073","MoKα","","0.0326","0.0299","","","0.0704","0.0719","","","","","","1.037","","","","has coordinates","240973","2020-10-21","18:00:00",""
"4130570","10.1941","0.0008","26.676","0.002","12.0718","0.0009","90","","113.107","0.001","90","","3019.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H64 Cl F14 N7 O2 S2 -","- C54 H64 Cl F14 N7 O2 S2 -","- C108 H128 Cl2 F28 N14 O4 S4 -","2","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","0.71073","MoKα","","0.0495","0.0399","","","0.084","0.0884","","","","","","1.026","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130571","11.5955","0.0002","11.8094","0.0002","13.3744","0.0002","112.922","0.001","92.39","0.001","117.085","0.001","1447.26","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H66 F14 N6 O2 S2 -","- C56 H66 F14 N6 O2 S2 -","- C56 H66 F14 N6 O2 S2 -","1","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0543","0.0523","","","0.111","0.1287","","","","","","1.024","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130572","13.1841","0.0003","20.3186","0.0004","20.8594","0.0004","104.092","0.001","101.305","0.001","100.497","0.001","5156.93","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H104 F28 N12 O4 S4 -","- C99.999 H104 F27.997 N12 O4 S4 -","- C199.998 H208 F55.994 N24 O8 S8 -","2","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0937","0.0789","","","0.1915","0.2057","","","","","","1.029","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130573","22.6193","0.0006","12.2384","0.0003","29.5286","0.0007","90","","92.679","0.002","90","","8165.3","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C75 H78 F21 N9 O3 S3 -","- C75 H78 F21 N9 O3 S3 -","- C300 H312 F84 N36 O12 S12 -","4","1","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","0.71073","MoKα","","0.0402","0.0354","","","0.0862","0.0887","","","","","","1.03","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130574","21.9073","0.0011","10.2539","0.0005","15.4936","0.0008","90","","119.671","0.003","90","","3024.1","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H64 Cl F14 N7 O4 -","- C54 H64 Cl F14 N7 O4 -","- C108 H128 Cl2 F28 N14 O8 -","2","0.5","","Ford, David D.; Lehnherr, Dan; Kennedy, C. Rose; Jacobsen, Eric N.","On- and Off-Cycle Catalyst Cooperativity in Anion-Binding Catalysis.","Journal of the American Chemical Society","2016","138","25","7860","7863","10.1021/jacs.6b04686","","","1.54178","CuKα","","0.0867","0.0783","","","0.193","0.2017","","","","","","1.096","","","","has coordinates,has disorder","240974","2020-10-21","18:00:00",""
"4130575","7.9663","0.0005","12.2238","0.0006","16.0261","0.001","90","","90","","90","","1560.6","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Br O3 -","- C16 H23 Br O3 -","- C64 H92 Br4 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","x-ray","0.71073","MoKα","","0.0456","0.0342","","","0.0611","0.0644","","","","","","1.017","","","","has coordinates","240975","2020-10-21","18:00:00",""
"4130576","7.8751","0.0003","13.4021","0.0007","13.2598","0.0007","90","","106.144","0.001","90","","1344.29","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","","0.71073","MoKα","","0.0389","0.0362","","","0.0926","0.0957","","","","","","1.004","","","","has coordinates","240976","2020-10-21","18:00:00",""
"4130577","14.421","0.005","7.5148","0.0018","12.931","0.004","90","","103.204","0.01","90","","1364.3","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","","0.71073","MoKα","","0.0601","0.0413","","","0.0975","0.1071","","","","","","1.026","","","","has coordinates","240977","2020-10-21","18:00:00",""
"4130578","45.3","0.0011","28.6539","0.0007","88.045","0.002","90","","90.94","0.002","90","","114269","5","230","2","230","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Au72(SPhBu-t)44","","","- C440 H572 Au92 S44 -","- C440 H572 Au92 S44 -","- C3520 H4576 Au736 S352 -","8","1","","Zeng, Chenjie; Liu, Chong; Chen, Yuxiang; Rosi, Nathaniel L.; Jin, Rongchao","Atomic Structure of Self-Assembled Monolayer of Thiolates on a Tetragonal Au92 Nanocrystal.","Journal of the American Chemical Society","2016","138","28","8710","8713","10.1021/jacs.6b04835","","","1.54178","CuKα","","0.1682","0.108","","","0.3139","0.3737","","","","","","1.045","","","","has coordinates","240978","2020-10-21","18:00:00",""
"4130579","9.0894","0.0003","11.2642","0.0004","20.8038","0.0007","95.61","0.003","92.724","0.003","107.775","0.003","2011.86","0.12","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 Si -","- C24 H22 N2 Si -","- C96 H88 N8 Si4 -","4","2","","Chen, Qing-An; Klare, Hendrik F. T.; Oestreich, Martin","Brønsted Acid-Promoted Formation of Stabilized Silylium Ions for Catalytic Friedel-Crafts C-H Silylation.","Journal of the American Chemical Society","2016","138","25","7868","7871","10.1021/jacs.6b04878","","x-ray","1.54184","CuKα","","0.0451","0.0414","","","0.1056","0.1089","","","","","","1.02","","","","has coordinates","240979","2020-10-21","18:00:00",""
"4130580","9.9746","0.0011","23.085","0.003","16.7399","0.0019","90","","90.299","0.011","90","","3854.5","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73 H22 O -","- C73 H22 O -","- C292 H88 O4 -","4","1","","Wu, Xin-Zhou; Yao, Yang-Rong; Chen, Miao-Miao; Tian, Han-Rui; Xiao, Jun; Xu, Yun-Yan; Lin, Min-Song; Abella, Laura; Tian, Cheng-Bo; Gao, Cong-Li; Zhang, Qianyan; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Formation of Curvature Subunit of Carbon in Combustion.","Journal of the American Chemical Society","2016","138","30","9629","9633","10.1021/jacs.6b04898","","","1.54178","CuKα","","0.1772","0.0924","","","0.2336","0.3086","","","","","","0.999","","","","has coordinates,has disorder","240980","2020-10-21","18:00:00",""
"4130581","17.796","0.003","11.1352","0.0017","4.5144","0.0006","90","","90","","90","","894.6","0.2","99.97","0.11","99.97","0.11","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C2 H6 I2 O2 Pb S -","- C2 H6 I2 O2 Pb S -","- C8 H24 I8 O8 Pb4 S4 -","4","0.5","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","0.71","MoKα","","0.1052","0.0617","","","0.1171","0.1406","","","","","","1.102","","","","has coordinates,has disorder","240981","2020-10-21","18:00:00",""
"4130582","20.641","0.002","12.4157","0.0009","19.0841","0.0019","90","","113.122","0.012","90","","4497.9","0.8","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C5 H25 I5 N3 O Pb S -","- C5 H24 I5 N3 O Pb S -","- C40 H192 I40 N24 O8 Pb8 S8 -","8","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","1.54184","CuKα","","0.1056","0.0827","","","0.2","0.229","","","","","","1.18","","","","has coordinates","240982","2020-10-21","18:00:00",""
"4130583","4.6212","0.0006","27.219","0.007","26.841","0.004","90","","90","","90","","3376.2","1.1","100.01","0.1","100.01","0.1","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C6 H26 I8 N2 O2 Pb3 S2 -","- C6 H24 I8 N2 O2 Pb3 S2 -","- C24 H96 I32 N8 O8 Pb12 S8 -","4","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","x-ray","0.71","MoKα","","0.0915","0.0602","","","0.1566","0.1809","","","","","","1.06","","","","has coordinates","240983","2020-10-21","18:00:00",""
"4130584","4.53212","0.00012","18.2385","0.0005","11.5566","0.0004","90","","92.661","0.003","90","","954.23","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 I2 N O Pb -","- C3 H7 I2 N O Pb -","- C12 H28 I8 N4 O4 Pb4 -","4","1","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","","0.71073","MoKα","","0.0421","0.038","","","0.0843","0.088","","","","","","1.048","","","","has coordinates","240984","2020-10-21","18:00:00",""
"4130585","13.6978","0.0004","10.8575","0.0004","8.7607","0.0003","90","","90","","90","","1302.93","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H12 I2 O2 Pb S2 -","- C4 H12 I2 O2 Pb S2 -","- C16 H48 I8 O8 Pb4 S8 -","4","0.5","","Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng","Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.","Journal of the American Chemical Society","2016","138","31","9919","9926","10.1021/jacs.6b04924","","","0.71073","MoKα","","0.0307","0.0274","","","0.064","0.0663","","","","","","1.07","","","","has coordinates","240985","2020-10-21","18:00:00",""
"4130586","8.572","0.0001","11.0335","0.0001","17.8845","0.0002","90","","90","","90","","1691.5","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Ni, Chunjie; Tong, Xiaofeng","Amine-Catalyzed Asymmetric (3 + 3) Annulations of β'-Acetoxy Allenoates: Enantioselective Synthesis of 4H-Pyrans.","Journal of the American Chemical Society","2016","138","25","7872","7875","10.1021/jacs.6b04935","","","1.54178","CuKα","","0.0282","0.028","","","0.0738","0.074","","","","","","1.072","","","","has coordinates","240986","2020-10-21","18:00:00",""
"4130587","14.7436","0.0011","20.14","0.0012","27.3915","0.0019","90","","104.347","0.005","90","","7879.9","0.9","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C352 H304 Br16 N32 O48 -","16","4","","Ni, Chunjie; Tong, Xiaofeng","Amine-Catalyzed Asymmetric (3 + 3) Annulations of β'-Acetoxy Allenoates: Enantioselective Synthesis of 4H-Pyrans.","Journal of the American Chemical Society","2016","138","25","7872","7875","10.1021/jacs.6b04935","","","1.54178","CuKα","","0.0872","0.0686","","","0.1658","0.1809","","","","","","1.048","","","","has coordinates","240987","2020-10-21","18:00:00",""
"4130588","13.8029","0.0002","24.1019","0.0004","24.1387","0.0003","114.836","0.0007","97.8836","0.0007","103.484","0.0005","6830.69","0.18","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C220 H230 N10 -","- C220 H230 N10 -","- C220 H230 N10 -","1","0.5","","Okujima, Tetsuo; Ando, Chie; Agrawal, Saurabh; Matsumoto, Hiroki; Mori, Shigeki; Ohara, Keishi; Hisaki, Ichiro; Nakae, Takahiro; Takase, Masayoshi; Uno, Hidemitsu; Kobayashi, Nagao","Template Synthesis of Decaphyrin without Meso-Bridges: Cyclo[10]pyrrole.","Journal of the American Chemical Society","2016","138","24","7540","7543","10.1021/jacs.6b04941","","","0.8","synchrotron","","0.13","0.113","","","0.2844","0.2909","","","","","","1.206","","","","has coordinates,has disorder","240988","2020-10-21","18:00:00",""
"4130589","13.6161","0.0001","23.9402","0.0003","24.0353","0.0003","113.847","0.0007","105.411","0.0005","96.269","0.0005","6696.56","0.14","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C225 H230 N10 O5 -","- C225 H230 N10 O5 -","- C225 H230 N10 O5 -","1","0.5","","Okujima, Tetsuo; Ando, Chie; Agrawal, Saurabh; Matsumoto, Hiroki; Mori, Shigeki; Ohara, Keishi; Hisaki, Ichiro; Nakae, Takahiro; Takase, Masayoshi; Uno, Hidemitsu; Kobayashi, Nagao","Template Synthesis of Decaphyrin without Meso-Bridges: Cyclo[10]pyrrole.","Journal of the American Chemical Society","2016","138","24","7540","7543","10.1021/jacs.6b04941","","","0.8","synchrotron","","0.1064","0.0961","","","0.2377","0.2431","","","","","","0.932","","","","has coordinates,has disorder","240989","2020-10-21","18:00:00",""
"4130590","19.1189","0.0005","19.7795","0.0006","45.0588","0.0012","90","","93.421","0.002","90","","17009.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C150 H177 F36 N19 O20 P6 -","- C150 H177 F36.012 N19 O20 P6.002 -","- C600 H708 F144.048 N76 O80 P24.008 -","4","1","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.0916","0.0749","","","0.2042","0.213","","","","","","1.041","","","","has coordinates","240990","2020-10-21","18:00:00",""
"4130591","20.1201","0.0009","26.1627","0.0012","26.488","0.0012","87.674","0.003","69.262","0.002","78.983","0.003","12793.9","1","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C298 H338 N16 O41 -","- C298 H338 N16 O41 -","- C596 H676 N32 O82 -","2","1","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.1261","0.0849","","","0.2244","0.2608","","","","","","1.034","","","","has coordinates,has disorder","240991","2020-10-21","18:00:00",""
"4130592","21.9335","0.0005","13.4484","0.0003","27.6224","0.0006","90","","113.137","0.0007","90","","7492.5","0.3","100","2","100.03","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H82 F18 N6 O10 P3 -","- C76 H82 F18 N6 O10 P3 -","- C304 H328 F72 N24 O40 P12 -","4","0.5","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.0411","0.0408","","","0.1037","0.1039","","","","","","1.047","","","","has coordinates,has disorder","240992","2020-10-21","18:00:00",""
"4130593","13.9493","0.0008","48.567","0.003","10.9451","0.0005","90","","112.934","0.003","90","","6828.9","0.7","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 N6 O10 -","- C76 H82 N6 O10 -","- C304 H328 N24 O40 -","4","1","","Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Sliding-Ring Catenanes.","Journal of the American Chemical Society","2016","138","32","10214","10225","10.1021/jacs.6b04982","","","1.54178","CuKα","","0.1465","0.1095","","","0.2433","0.2595","","","","","","1.067","","","","has coordinates,has disorder","240993","2020-10-21","18:00:00",""
"4130594","13.6489","0.0004","13.6489","0.0004","7.9023","0.0003","90","","90","","120","","1274.91","0.07","296","2","296","2","","","","","","","","6","P 3","P 3","143","[QT][GaBr4]","","","- C6 Br4 Cl2 Ga N2 S4 -","- C6 Br4 Cl2 Ga N2 S4 -","- C18 Br12 Cl6 Ga3 N6 S12 -","3","1","","Postulka, Lars; Winter, Stephen M.; Mihailov, Adam G.; Mailman, Aaron; Assoud, Abdeljalil; Robertson, Craig M.; Wolf, Bernd; Lang, Michael; Oakley, Richard T.","Spin Frustration in an Organic Radical Ion Salt Based on a Kagome-Coupled Chain Structure.","Journal of the American Chemical Society","2016","138","34","10738","10741","10.1021/jacs.6b05079","","","0.71073","MoKα","","0.0695","0.0436","","","0.079","0.0866","","","","","","1.105","","","","has coordinates","240994","2020-10-21","18:00:00",""
"4130595","7.2513","0.0009","9.3654","0.0013","20.598","0.003","95.768","0.006","98.328","0.007","104.441","0.006","1326.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N5 O2 -","- C30 H33 N5 O2 -","- C60 H66 N10 O4 -","2","1","","Gallagher, Nolan M.; Bauer, Jackson J.; Pink, Maren; Rajca, Suchada; Rajca, Andrzej","High-Spin Organic Diradical with Robust Stability.","Journal of the American Chemical Society","2016","138","30","9377","9380","10.1021/jacs.6b05080","","","0.71073","MoKα","","0.205","0.0687","","","0.1368","0.1903","","","","","","0.911","","","","has coordinates","240995","2020-10-21","18:00:00",""
"4130596","14.855","0.003","4.084","0.0008","22.985","0.005","90","","96.594","0.009","90","","1385.2","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-BROMO BENZOIC ACID","","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C56 H40 Br8 O16 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0542","0.0297","","","0.0603","0.0677","","","","","","1.02","","","","has coordinates","240996","2020-10-21","18:00:00",""
"4130597","3.7527","0.0007","6.2589","0.0013","30.957","0.006","90","","90.871","0.004","90","","727","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4-dichloro benzoic acid","","","- C7 H4 Cl2 O2 -","- C7 H4 Cl2 O2 -","- C28 H16 Cl8 O8 -","4","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0616","0.0522","","","0.1556","0.1617","","","","","","1.087","","","","has coordinates","240997","2020-10-21","18:00:00",""
"4130598","14.781","0.004","3.8619","0.001","27.042","0.007","90","","101.453","0.01","90","","1512.9","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3-dichloro benzoic acid","","","- C7 H4 Cl2 O2 -","- C7 H4 Cl2 O2 -","- C56 H32 Cl16 O16 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0665","0.0418","","","0.092","0.1027","","","","","","1.043","","","","has coordinates","240998","2020-10-21","18:00:00",""
"4130599","14.706","0.005","3.8955","0.0012","23.968","0.007","90","","101.413","0.013","90","","1345.9","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-CHLORO BENZOIC ACID","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C56 H40 Cl8 O16 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0497","0.0385","","","0.0878","0.0938","","","","","","1.124","","","","has coordinates","240999","2020-10-21","18:00:00",""
"4130600","5.3117","0.0013","4.9506","0.0012","28.881","0.007","90","","92.615","0.006","90","","758.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,4-DICHLORO BENZAMIDE","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0474","0.0326","","","0.0729","0.0797","","","","","","1.049","","","","has coordinates","241001","2020-10-21","18:00:00",""
"4130601","7.143","0.002","9.196","0.003","21.941","0.007","90.307","0.005","99.162","0.005","91.812","0.006","1422.1","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C72 H56 N4 O8 -","2","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.1997","0.0758","","","0.2282","0.3299","","","","","","0.884","","","","has coordinates","241002","2020-10-21","18:00:00",""
"4130602","4.6215","0.0015","8.019","0.003","17.024","0.006","90","","93.99","0.008","90","","629.4","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-bis(methyl)-1,4,5,8-naphthalenediimide","","","- C16 H10 N2 O4 -","- C16 H10 N2 O4 -","- C32 H20 N4 O8 -","2","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0759","0.0441","","","0.1354","0.1636","","","","","","1.016","","","","has coordinates","241003","2020-10-21","18:00:00",""
"4130603","13.605","0.004","7.147","0.003","28.422","0.01","90","","94.298","0.007","90","","2755.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C128 H136 N8 O16 -","8","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.2067","0.1201","","","0.2671","0.3025","","","","","","1.158","","","","has coordinates","241004","2020-10-21","18:00:00",""
"4130604","6.9622","0.0004","17.2426","0.0011","27.5809","0.0015","90","","90","","90","","3311","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0534","0.0415","","","0.1081","0.1181","","","","","","1.056","","","","has coordinates","241005","2020-10-21","18:00:00",""
"4130605","8.04","0.003","4.3235","0.0011","29.008","0.009","90","","92.363","0.007","90","","1007.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-bis(p-methyl phenyl)-1,4,5,8-naphthalenediimide","","","- C28 H18 N2 O4 -","- C28 H18 N2 O4 -","- C56 H36 N4 O8 -","2","0.5","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.1389","0.0625","","","0.1381","0.1758","","","","","","0.965","","","","has coordinates","241006","2020-10-21","18:00:00",""
"4130606","12.9943","0.0014","9.4749","0.0014","8.0539","0.001","90","","93.777","0.01","90","","989.4","0.2","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","x-ray","0.71073","MoKα","","0.1284","0.1196","","","0.3206","0.3249","","","","","","1.178","","","","has coordinates","241007","2020-10-21","18:00:00",""
"4130607","19.4469","0.0005","9.7388","0.0003","16.3359","0.0004","90","","90","","90","","3093.85","0.15","296","2","296","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0641","0.0519","","","0.1199","0.1279","","","","","","1.072","","","","has coordinates","241008","2020-10-21","18:00:00",""
"4130608","4.8497","0.0005","12.3971","0.0011","22.147","0.002","77.914","0.006","87.481","0.006","85.096","0.005","1296.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.087","0.0676","","","0.158","0.1724","","","","","","1.078","","","","has coordinates","241009","2020-10-21","18:00:00",""
"4130609","10.3758","0.0003","13.2372","0.0004","19.6596","0.0005","90","","101.896","0.003","90","","2642.19","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 N O2 P2 Rh -","- C24 H44 N O2 P2 Rh -","- C96 H176 N4 O8 P8 Rh4 -","4","1","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0361","0.0277","","","0.0589","0.0608","","","","","","0.96","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130610","11.417","0.002","29.009","0.005","15.317","0.003","90","","90","","90","","5072.9","1.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H42 N O P2 Rh -","- C24 H42 N O P2 Rh -","- C192 H336 N8 O8 P16 Rh8 -","8","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0447","0.0352","","","0.0772","0.0822","","","","","","0.987","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130611","10.532","0.002","17.22","0.003","17.597","0.004","93.68","0.03","106.38","0.03","91.7","0.03","3051.8","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N O P2 Rh -","- C30 H48 N O P2 Rh -","- C120 H192 N4 O4 P8 Rh4 -","4","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.0391","0.0275","","","0.0575","0.0626","","","","","","1.022","","","","has coordinates","241010","2020-10-21","18:00:00",""
"4130612","16.7779","0.0011","16.331","0.001","27.0224","0.0015","90","","117.771","0.003","90","","6551.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 N O3 P2 Rh S -","- C30 H50 N O3 P2 Rh S -","- C240 H400 N8 O24 P16 Rh8 S8 -","8","2","","Anaby, Aviel; Feller, Moran; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Bottom-Up Construction of a CO2-Based Cycle for the Photocarbonylation of Benzene, Promoted by a Rhodium(I) Pincer Complex.","Journal of the American Chemical Society","2016","138","31","9941","9950","10.1021/jacs.6b05128","","","0.71073","MoKα","","0.111","0.0511","","","0.0882","0.108","","","","","","1.004","","","","has coordinates,has disorder","241010","2020-10-21","18:00:00",""
"4130613","14.0248","0.0012","19.7867","0.0017","24.657","0.002","110.651","0.002","95.629","0.002","97.244","0.002","6276.3","0.9","90","","90","","","","","","","","","8","P -1","-P 1","2","","iridium vinyloxy","","- C60 H56 B F24 Ir N O3 P -","- C60 H56 B F24 Ir N O3 P -","- C240 H224 B4 F96 Ir4 N4 O12 P4 -","4","2","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","","0.71073","MoKα","","0.0695","0.0397","","","0.0837","0.0956","","","","","","1.058","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130614","23.0081","0.001","20.1658","0.0008","12.8557","0.0006","90","","90","","90","","5964.7","0.4","90","","90","","","","","","","","","9","P n a 21","P 2c -2n","33","","pentamethylcyclopentadienylrhodium(III)phosphoramidatebarf","","- C55 H48 B Cl2 F24 N O3 P Rh -","- C55 H48 B Cl2 F24 N O3 P Rh -","- C220 H192 B4 Cl8 F96 N4 O12 P4 Rh4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","x-ray","0.71073","MoKα","","0.0522","0.0411","","","0.0984","0.1085","","","","","","0.98","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130615","17.1931","0.0014","20.3353","0.0017","19.7277","0.0016","90","","99.808","0.002","90","","6796.5","1","90","","90","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","iridium vinyloxy 2","","- C66 H60 B F24 Ir N O3 P -","- C66 H60 B F24 Ir N O3 P -","- C264 H240 B4 F96 Ir4 N4 O12 P4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","","0.71073","MoKα","","0.0943","0.0695","","","0.1305","0.1476","","","","","","1.129","","","","has coordinates,has disorder","241012","2020-10-21","18:00:00",""
"4130616","9.898","0.005","19.451","0.009","9.138","0.005","90","","99.47","0.009","90","","1735.3","1.5","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-2,6-dimethylphenyl O-ethoxy, O-vinylphenyl phosphoramidate","","- C18 H22 N O3 P -","- C18 H22 N O3 P -","- C72 H88 N4 O12 P4 -","4","1","","Drover, Marcus W.; Love, Jennifer A.; Schafer, Laurel L.","Toward anti-Markovnikov 1-Alkyne O-Phosphoramidation: Exploiting Metal-Ligand Cooperativity in a 1,3-N,O-Chelated Cp*Ir(III) Complex.","Journal of the American Chemical Society","2016","138","27","8396","8399","10.1021/jacs.6b05143","","","0.71073","MoKα","","0.0922","0.0487","","","0.1132","0.1392","","","","","","1.029","","","","has coordinates","241012","2020-10-21","18:00:00",""
"4130617","7.8217","0.0007","6.0909","0.0005","14.503","0.0012","90","","91.2816","0.0017","90","","690.77","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C34 H28 Br2 N2 O2 -","2","1","","Zhao, Chenfei; Chen, Shawn B.; Seidel, Daniel","Direct Formation of Oxocarbenium Ions under Weakly Acidic Conditions: Catalytic Enantioselective Oxa-Pictet-Spengler Reactions.","Journal of the American Chemical Society","2016","138","29","9053","9056","10.1021/jacs.6b05225","","","0.71073","MoKα","","0.048","0.0377","","","0.0715","0.0741","","","","","","1.199","","","","has coordinates","241013","2020-10-21","18:00:00",""
"4130618","12.5594","0.0004","17.4038","0.0005","20.1905","0.0006","90","","102.08","0.003","90","","4315.5","0.2","150","2","150.15","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C89 H89 B F24 N4 O Ru Zn -","- C89 H89 B F24 N4 O Ru Zn -","- C178 H178 B2 F48 N8 O2 Ru2 Zn2 -","2","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","0.71073","MoKα","","0.0533","0.042","","","0.074","0.0783","","","","","","1.026","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130619","17.00002","0.00008","25.77166","0.00011","20.59225","0.00009","90","","100.064","0.0004","90","","8883.02","0.07","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H93 B F24 N4 O Ru Zn -","- C89 H93 B F24 N4 O Ru Zn -","- C356 H372 B4 F96 N16 O4 Ru4 Zn4 -","4","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","1.54184","CuKα","","0.0406","0.0377","","","0.0958","0.0983","","","","","","1.028","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130620","16.96745","0.00008","25.70693","0.0001","20.56727","0.00009","90","","98.9877","0.0004","90","","8860.91","0.07","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H91 B F24 N4 O Ru Zn -","- C89 H91 B F24 N4 O Ru Zn -","- C356 H364 B4 F96 N16 O4 Ru4 Zn4 -","4","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","1.54184","CuKα","","0.0435","0.0413","","","0.1068","0.109","","","","","","1.037","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130621","21.04374","0.00012","20.82587","0.00009","22.77178","0.00013","90","","116.888","0.0007","90","","8900.96","0.1","150","2","150.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C89 H92 B F24 N5 O Ru Zn -","- C89 H92 B F24 N5 O Ru Zn -","- C356 H368 B4 F96 N20 O4 Ru4 Zn4 -","4","1","","Riddlestone, Ian M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K.","Activation of H2 over the Ru-Zn Bond in the Transition Metal-Lewis Acid Heterobimetallic Species [Ru(IPr)2(CO)ZnEt](.).","Journal of the American Chemical Society","2016","138","35","11081","11084","10.1021/jacs.6b05243","","x-ray","1.54184","CuKα","","0.0419","0.0388","","","0.1015","0.1045","","","","","","1.025","","","","has coordinates,has disorder","241014","2020-10-21","18:00:00",""
"4130622","21.2832","0.0004","21.2832","0.0004","21.2832","0.0004","90","","90","","90","","9640.7","0.3","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","¡®MOF-950¡¯","¡®MOF-950¡¯","","- C30 H18 N0 O13 Zn4 -","- C30 H18 O13 Zn4 -","- C120 H72 O52 Zn16 -","4","0.166667","","Jiang, Juncong; Furukawa, Hiroyasu; Zhang, Yue-Biao; Yaghi, Omar M.","High Methane Storage Working Capacity in Metal-Organic Frameworks with Acrylate Links.","Journal of the American Chemical Society","2016","138","32","10244","10251","10.1021/jacs.6b05261","","","1.54178","CuKα","","0.0999","0.0824","","","0.2271","0.2495","","","","","","1.005","","","","has coordinates,has disorder","241015","2020-10-21","18:00:00",""
"4130623","9.5249","0.0003","5.8864","0.0002","14.3094","0.0004","90","","100.719","0.003","90","","788.29","0.04","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl3 N -","- C16 H16 Cl3 N -","- C32 H32 Cl6 N2 -","2","1","","Liu, Jie; Cao, Chao-Guo; Sun, Hong-Bao; Zhang, Xia; Niu, Dawen","Catalytic Asymmetric Umpolung Allylation of Imines.","Journal of the American Chemical Society","2016","138","40","13103","13106","10.1021/jacs.6b05288","","x-ray","1.54184","CuKα","","0.0493","0.0481","","","0.126","0.1281","","","","","","1.057","","","","has coordinates","241016","2020-10-21","18:00:00",""
"4130624","9.903","0.001","9.903","0.001","15.72","0.002","90","","90","","90","","1541.7","0.3","296","1","296","1","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C8.84 H8 F5 N4 Nb Ni O2.68 -","- C8.84 H8 F5 N4 Nb Ni O2.68 -","- C35.36 H32 F20 N16 Nb4 Ni4 O10.72 -","4","0.125","","Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption.","Journal of the American Chemical Society","2016","138","29","9301","9307","10.1021/jacs.6b05345","","","1.54178","CuKα","","0.0784","0.0712","","","0.1836","0.1889","","","","","","1.039","","","","has coordinates","241017","2020-10-21","18:00:00",""
"4130625","9.943","0.004","9.943","0.004","15.764","0.006","90","","90","","90","","1558.5","1.1","295.5","0.1","295.5","0.1","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C8 H12 F5 N4 Nb Ni O3 -","- C8 H8 F5 N4 Nb Ni O3 -","- C32 H32 F20 N16 Nb4 Ni4 O12 -","4","0.125","","Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed","A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption.","Journal of the American Chemical Society","2016","138","29","9301","9307","10.1021/jacs.6b05345","","","0.71073","MoKα","","0.0699","0.0325","","","0.0683","0.077","","","","","","0.977","","","","has coordinates,has disorder","241018","2020-10-21","18:00:00",""
"4130626","13.7385","0.0006","19.5301","0.0007","29.6719","0.0014","90","","96.687","0.002","90","","7907.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","L2CuOTf(THF)2","","","- C91 H98 Cu F3 O5 P6 S -","- C91 H94 Cu F3 O5 P6 S -","- C364 H376 Cu4 F12 O20 P24 S4 -","4","1","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.1664","0.0701","","","0.1356","0.1727","","","","","","1.003","","","","has coordinates","241019","2020-10-21","18:00:00",""
"4130627","21.6406","0.0013","21.6406","0.0013","16.2448","0.0011","90","","90","","120","","6588.5","0.7","123","2","123","2","","","","","","","","4","P 3 1 2","P 3 2","149","[(p3Cu)2H]PF6","","","- C82 H79 Cu2 P6 -","- C81.974 H78.9754 Cu2 P5.998 -","- C245.922 H236.926 Cu6 P17.994 -","3","0.5","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.1273","0.0698","","","0.1805","0.223","","","","","","1.03","","","","has coordinates,has disorder","241020","2020-10-21","18:00:00",""
"4130628","14.0768","0.0008","19.6513","0.0011","15.0068","0.0008","90","","115.83","0.002","90","","3736.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(LCuH)2","","","- C86 H86 Cu2 N2 P6 -","- C86 H86 Cu2 N2 P6 -","- C172 H172 Cu4 N4 P12 -","2","0.5","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.0889","0.0541","","","0.1178","0.1295","","","","","","1.021","","","","has coordinates,has disorder","241021","2020-10-21","18:00:00",""
"4130629","15.00712","0.0002","16.8669","0.0002","20.439","0.0003","73.1727","0.0012","68.6423","0.0012","80.3164","0.0011","4600.53","0.12","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H76 B6 Co2 F24 N19 O0.5 -","- C92 H76 B6 Co2 F24 N19 O0.5 -","- C184 H152 B12 Co4 F48 N38 O -","2","1","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.0584","0.0552","","","0.1498","0.1539","","","","","","1.027","","","","has coordinates,has disorder","241022","2020-10-21","18:00:00",""
"4130630","17.3577","0.0003","17.3577","0.0003","104.263","0.002","90","","90","","120","","27204.8","0.8","120","","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H84 B6 Co2 F24 N18 -","- C84 H66 B6 Co2 F24 N12 -","- C1008 H792 B72 Co24 F288 N144 -","12","0.333333","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54178","CuKα","","0.0865","0.0769","","","0.2137","0.2237","","","","","","1.047","","","","has coordinates","241023","2020-10-21","18:00:00",""
"4130631","20.5996","0.0002","20.5996","0.0002","195.2193","0.0018","90","","90","","120","","71741.6","1.2","120","","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C168 H132 Co4 F72 N24 P12 -","- C168 H132 Co4 F72.0002 N24 P12.5 -","- C2016 H1584 Co48 F864.002 N288 P150 -","12","0.333333","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.1153","0.0911","","","0.2689","0.2877","","","","","","1.069","","","","has coordinates,has disorder","241024","2020-10-21","18:00:00",""
"4130632","18.6723","0.0003","38.7772","0.0008","38.7947","0.0006","90","","92.084","0.0016","90","","28071.1","0.9","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C250 H231 Co4 F72 N65 P12 -","- C192 H144 Co4 F72 N36 P12 -","- C768 H576 Co16 F288 N144 P48 -","4","1","","Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J.","Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction.","Journal of the American Chemical Society","2016","138","29","9308","9315","10.1021/jacs.6b05364","","x-ray","1.54184","CuKα","","0.204","0.1725","","","0.4398","0.4577","","","","","","3.301","","","","has coordinates,has disorder","241025","2020-10-21","18:00:00",""
"4130633","13.79","","14.11","","18.58","","92.46","","97.97","","86.84","","3572.6","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H48 Mn12 O50 -","- C39 H48 Mn12 O50 -","- C78 H96 Mn24 O100 -","2","1","","Espín, Jordi; Zarzuela, Ricardo; Statuto, Nahuel; Juanhuix, Jordi; Maspoch, Daniel; Imaz, Inhar; Chudnovsky, Eugene; Tejada, Javier","Narrowing the Zero-Field Tunneling Resonance by Decreasing the Crystal Symmetry of Mn12 Acetate.","Journal of the American Chemical Society","2016","138","29","9065","9068","10.1021/jacs.6b05380","","","0.71073","synchrotronradiation","","0.1271","0.0866","","","0.2375","0.2725","","","","","","1.011","","","","has coordinates,has disorder","241026","2020-10-21","18:00:00",""
"4130634","26.389","0.0006","26.389","0.0006","8.1302","0.0002","90","","90","","90","","5661.7","0.2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C29 H41 N O2 P2 Ru -","- C29 H41 N O2 P2 Ru -","- C232 H328 N8 O16 P16 Ru8 -","8","1","","Xie, Yinjun; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Highly Efficient Process for Production of Biofuel from Ethanol Catalyzed by Ruthenium Pincer Complexes.","Journal of the American Chemical Society","2016","138","29","9077","9080","10.1021/jacs.6b05433","","","0.71073","MoKα","","0.0255","0.0236","","","0.0524","0.0533","","","","","","1.022","","","","has coordinates","241027","2020-10-21","18:00:00",""
"4130635","9.9178","0.0012","23.191","0.003","8.899","0.0011","90","","90","","90","","2046.8","0.4","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H27 B2 N O4 -","- C19 H27 B2 N O4 -","- C76 H108 B8 N4 O16 -","4","1","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","","0.71073","MoKα","","0.0659","0.0564","","","0.1325","0.1398","","","","","","1.006","","","","has coordinates,has disorder","241028","2020-10-21","18:00:00",""
"4130636","10.9964","0.0006","14.6674","0.0005","12.8154","0.0006","90","","92.279","0.004","90","","2065.34","0.16","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 B2 F3 O4 -","- C19 H27 B2 F3 O4 -","- C76 H108 B8 F12 O16 -","4","1","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","","0.71073","MoKα","","0.0705","0.0636","","","0.1348","0.1397","","","","","","1.03","","","","has coordinates","241029","2020-10-21","18:00:00",""
"4130637","13.1779","0.0005","13.6565","0.0006","14.0817","0.0005","104.079","0.003","98.934","0.003","114.197","0.004","2146.96","0.18","98","","98","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 B2 F3 O5 -","- C19 H27 B2 F3 O5 -","- C76 H108 B8 F12 O20 -","4","2","","Mfuh, Adelphe M.; Nguyen, Vu T.; Chhetri, Bhuwan; Burch, Jessica E.; Doyle, John D.; Nesterov, Vladimir N.; Arman, Hadi D.; Larionov, Oleg V.","Additive- and Metal-Free, Predictably 1,2- and 1,3-Regioselective, Photoinduced Dual C-H/C-X Borylation of Haloarenes.","Journal of the American Chemical Society","2016","138","27","8408","8411","10.1021/jacs.6b05436","","x-ray","0.71073","MoKα","","0.0596","0.043","","","0.0916","0.0968","","","","","","1.024","","","","has coordinates","241030","2020-10-21","18:00:00",""
"4130638","12.4162","0.0005","14.0091","0.0006","19.4439","0.0008","90","","90","","90","","3382.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 I2 P2 Pt -","- C8 H24 I2 P2 Pt -","- C64 H192 I16 P16 Pt8 -","8","2","","Levin, Mark D.; Kaphan, David M.; Hong, Cynthia M.; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean","Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis.","Journal of the American Chemical Society","2016","138","30","9682","9693","10.1021/jacs.6b05442","","","0.71073","MoKα","","0.0703","0.0655","","","0.1604","0.1632","","","","","","1.012","","","","has coordinates","241031","2020-10-21","18:00:00",""
"4130639","19.9478","0.001","60.836","0.003","19.5518","0.0011","90","","118.988","0.002","90","","20754.5","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","cmh_iii_dmk3_a","","","- C152 H140 Au Ga4 K8 N12 O52 P2 -","- C149.976 H101.928 Au0.747 Ga4 K8 N12 O51 P1.494 -","- C599.904 H407.712 Au2.988 Ga16 K32 N48 O204 P5.976 -","4","1","","Levin, Mark D.; Kaphan, David M.; Hong, Cynthia M.; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean","Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis.","Journal of the American Chemical Society","2016","138","30","9682","9693","10.1021/jacs.6b05442","","","1.2276","synchrotron","","0.1738","0.157","","","0.3701","0.3814","","","","","","1.111","","","","has coordinates","241032","2020-10-21","18:00:00",""
"4130640","15.17028","0.00012","22.32611","0.00016","29.9089","0.0003","90","","102.991","0.0009","90","","9870.67","0.15","100","0.1","100","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C93 H128 Cl2 Cu4 K N8 O7 S -","- C93 H128 Cl2 Cu4 K N8 O7 S -","- C372 H512 Cl8 Cu16 K4 N32 O28 S4 -","4","2","","Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Graham, Michael J.; Mankad, Neal P.","A One-Hole Cu<sub>4</sub>S Cluster with N<sub>2</sub>O Reductase Activity: A Structural and Functional Model for Cu<sub>Z</sub>.","Journal of the American Chemical Society","2016","138","40","13107","13110","10.1021/jacs.6b05480","","x-ray","1.54184","CuKα","","0.086","0.0761","","","0.2148","0.227","","","","","","1.014","","","","has coordinates,has disorder","241033","2020-10-21","18:00:00",""
"4130641","22.9942","0.0012","22.9942","0.0012","15.5128","0.0008","90","","90","","90","","8202.1","0.7","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","CuS2NCN2","","","- C38 H46 Cu N4 S2 -","- C38 H46 Cu N4 S2 -","- C304 H368 Cu8 N32 S16 -","8","0.5","","Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Graham, Michael J.; Mankad, Neal P.","A One-Hole Cu<sub>4</sub>S Cluster with N<sub>2</sub>O Reductase Activity: A Structural and Functional Model for Cu<sub>Z</sub>.","Journal of the American Chemical Society","2016","138","40","13107","13110","10.1021/jacs.6b05480","","","0.71073","","","0.1106","0.0666","","","0.1967","0.2236","","","","","","1.404","","","","has coordinates","241033","2020-10-21","18:00:00",""
"4130642","13.5285","0.0018","8.4191","0.0012","15.857","0.002","90","","90","","90","","1806.1","0.4","90","","90","","","","","","","","","3","P m c 21","P 2c -2","26","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Leung, Franco King-Chi; Ishiwari, Fumitaka; Kajitani, Takashi; Shoji, Yoshiaki; Hikima, Takaaki; Takata, Masaki; Saeki, Akinori; Seki, Shu; Yamada, Yoichi M. A.; Fukushima, Takanori","Supramolecular Scaffold for Tailoring the Two-Dimensional Assembly of Functional Molecular Units into Organic Thin Films.","Journal of the American Chemical Society","2016","138","36","11727","11733","10.1021/jacs.6b05513","","","0.71073","MoKα","","0.0394","0.0371","","","0.096","0.0975","","","","","","1.066","","","","has coordinates","241034","2020-10-21","18:00:00",""
"4130643","24.5669","0.0003","13.815","0.0001","18.1309","0.0002","90","","111.014","0.001","90","","5744.23","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H40 P2 S15 V -","- C57 H40 P2 S15 V -","- C228 H160 P8 S60 V4 -","4","1","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.0431","0.0372","","","0.091","0.0953","","","","","","1.05","","","","has coordinates","241035","2020-10-21","18:00:00",""
"4130644","20.4747","0.0005","12.7283","0.0004","20.6032","0.0005","90","","95.297","0.002","90","","5346.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 O P2 S10 V -","- C54 H40 O P2 S10 V -","- C216 H160 O4 P8 S40 V4 -","4","0.5","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.1369","0.0587","","","0.0678","0.0875","","","","","","1.024","","","","has coordinates","241036","2020-10-21","18:00:00",""
"4130645","19.9651","0.0003","12.5335","0.0001","20.8994","0.0002","90","","94.26","0.001","90","","5215.26","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Mo O P2 S10 -","- C54 H40 Mo O P2 S10 -","- C216 H160 Mo4 O4 P8 S40 -","4","0.5","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.0355","0.028","","","0.0624","0.0683","","","","","","1.106","","","","has coordinates","241037","2020-10-21","18:00:00",""
"4130646","12.7155","0.0003","13.1946","0.0003","14.1206","0.0005","115.945","0.003","97.484","0.002","106.847","0.002","1945.83","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 P S15 V -","- C33 H20 P S15 V -","- C66 H40 P2 S30 V2 -","2","1","","Atzori, Matteo; Morra, Elena; Tesi, Lorenzo; Albino, Andrea; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta","Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety.","Journal of the American Chemical Society","2016","138","35","11234","11244","10.1021/jacs.6b05574","","","1.54184","CuKα","","0.0346","0.0267","","","0.0658","0.069","","","","","","1.033","","","","has coordinates","241038","2020-10-21","18:00:00",""
"4130647","12.6258","0.0011","23.1782","0.0018","20.3231","0.0016","90","","99.749","0.003","90","","5861.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 N6 O6 -","- C64 H58 N6 O6 -","- C256 H232 N24 O24 -","4","1","","Martinez-Cuezva, Alberto; Lopez-Leonardo, Carmen; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Stereocontrolled Synthesis of β-Lactams within [2]Rotaxanes: Showcasing the Chemical Consequences of the Mechanical Bond.","Journal of the American Chemical Society","2016","138","28","8726","8729","10.1021/jacs.6b05581","","","1.54178","CuKα","","0.0547","0.0492","","","0.1269","0.1321","","","","","","1.037","","","","has coordinates,has disorder","241039","2020-10-21","18:00:00",""
"4130648","23.4939","0.0013","23.4954","0.0014","31.9724","0.0018","90","","90","","90","","17648.7","1.7","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","UNLPF_14","","","- C100 H52 In2 Mn N4 O17 -","- C100 H54.02 In2 Mn N4 O17 -","- C200 H108.04 In4 Mn2 N8 O34 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.1666","0.0832","","","0.2164","0.2593","","","","","","0.946","","","","has coordinates","241040","2020-10-21","18:00:00",""
"4130649","23.4897","0.0013","23.4895","0.0013","31.9645","0.0018","90","","90","","90","","17636.8","1.7","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","UNLPF_16","","","- C100 H52 Fe In2 N4 O17 -","- C100 H54.02 Fe In2 N4 O17 -","- C200 H108.04 Fe2 In4 N8 O34 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.1868","0.0963","","","0.2772","0.3282","","","","","","0.991","","","","has coordinates","241041","2020-10-21","18:00:00",""
"4130650","15.6602","0.0017","18.7951","0.0019","7.4123","0.0008","90","","99.029","0.003","90","","2154.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2-(4-chlorophenyl)-4-phenyl-1-((4-(trifluoromethyl)phenyl)sulfonyl)pyrrolidine","","","- C23 H19 Cl F3 N O2 S -","- C23 H19 Cl F3 N O2 S -","- C92 H76 Cl4 F12 N4 O8 S4 -","4","1","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.0968","0.0613","","","0.1572","0.1814","","","","","","1.142","","","","has coordinates,has disorder","241042","2020-10-21","18:00:00",""
"4130651","23.767","0.01","23.767","","29.459","0.012","90","","90","","90","","16641","10","100","2","100","2","","","","","","","","7","P n n m","-P 2 2n","58","UNLPF_13","","","- C100 H52 Cl In2 Mn N4 O16 -","- C100 H52 Cl In2 Mn N4 O16 -","- C200 H104 Cl2 In4 Mn2 N8 O32 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.47398","synchrotron","","0.1025","0.0579","","","0.1416","0.156","","","","","","0.894","","","","has coordinates","241043","2020-10-21","18:00:00",""
"4130652","14.1702","0.0005","15.5119","0.0006","9.5178","0.0004","90","","105.328","0.0011","90","","2017.66","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N O2 S -","- C23 H22 Cl N O2 S -","- C92 H88 Cl4 N4 O8 S4 -","4","1","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.41328","synchrotron","","0.0871","0.0648","","","0.2066","0.2296","","","","","","1.556","","","","has coordinates,has disorder","241044","2020-10-21","18:00:00",""
"4130653","23.412","0.006","23.428","0.006","32.108","0.009","90","","90","","90","","17611","8","296","2","296","2","","","","","","","","7","P n n m","-P 2 2n","58","UNLPF-15","","","- C100 H52 Cl Fe In2 N4 O16 -","- C100 H52 Cl Fe In2 N4 O16 -","- C200 H104 Cl2 Fe2 In4 N8 O32 -","2","0.25","","Johnson, Jacob A.; Petersen, Brenna M.; Kormos, Attila; Echeverría, Elena; Chen, Yu-Sheng; Zhang, Jian","A New Approach to Non-Coordinating Anions: Lewis Acid Enhancement of Porphyrin Metal Centers in a Zwitterionic Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","32","10293","10298","10.1021/jacs.6b05626","","","0.47398","synchrotron","","0.1857","0.0803","","","0.2065","0.2552","","","","","","0.93","","","","has coordinates","241045","2020-10-21","18:00:00",""
"4130654","11.2356","0.0009","12.9918","0.001","11.3681","0.001","90","","154.939","0.004","90","","702.9","0.14","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Me2TDPP","","- C16 H12 N2 O2 S2 -","- C16 H12 N2 O2 S2 -","- C32 H24 N4 O4 S4 -","2","0.5","","Mauck, Catherine M.; Hartnett, Patrick E.; Margulies, Eric A.; Ma, Lin; Miller, Claire E.; Schatz, George C.; Marks, Tobin J.; Wasielewski, Michael R.","Singlet Fission via an Excimer-Like Intermediate in 3,6-Bis(thiophen-2-yl)diketopyrrolopyrrole Derivatives.","Journal of the American Chemical Society","2016","138","36","11749","11761","10.1021/jacs.6b05627","","","1.54178","CuKα","","0.0324","0.032","","","0.0942","0.0945","","","","","","1.124","","","","has coordinates","241046","2020-10-21","18:00:00",""
"4130655","16.653","0.003","22.759","0.005","24.195","0.005","76.33","0.03","78.45","0.03","82.76","0.03","8700","3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C93 H123 N3 O15 -","- C93 H123 N3 O15 -","- C372 H492 N12 O60 -","4","2","","Li, Xuesong; Markandeya, Nagula; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Maurizot, Victor; Denisov, Sergey A.; Huc, Ivan","Photoinduced Electron Transfer and Hole Migration in Nanosized Helical Aromatic Oligoamide Foldamers.","Journal of the American Chemical Society","2016","138","41","13568","13578","10.1021/jacs.6b05668","","","1.54178","CuKα","","0.1403","0.0838","","","0.2291","0.2515","","","","","","1.05","","","","has coordinates,has disorder","241047","2020-10-21","18:00:00",""
"4130656","31.718","0.0015","31.718","0.0015","17.1352","0.0009","90","","90","","120","","14929","1.3","250","","250","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C188 H97.5 In9 N1.5 O46.5 -","- C187.999 H97.5 In9 N1.5 O46.5 -","- C375.998 H195 In18 N3 O93 -","2","0.166667","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.0777","0.0649","","","0.1825","0.1939","","","","","","1.14","","","","has coordinates","241048","2020-10-21","18:00:00",""
"4130657","31.8903","0.0007","31.8903","0.0007","17.1915","0.0005","90","","90","","120","","15141.2","0.6","250","","250","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C168 H90 In9 O48 -","- C168 H90 In9 O48 -","- C336 H180 In18 O96 -","2","0.166667","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.1607","0.0961","","","0.2409","0.3034","","","","","","1.006","","","","has coordinates,has disorder","241049","2020-10-21","18:00:00",""
"4130658","17.5574","0.0008","20.8944","0.0009","16.8168","0.0008","90","","90","","90","","6169.3","0.5","250","","250","","","","","","","","","5","P b c n","-P 2n 2ab","60","","InPF50","","- C30 H18 In N O10.5 -","- C30 H23 In N O10.5 -","- C240 H184 In8 N8 O84 -","8","1","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.1008","0.0866","","","0.2445","0.2618","","","","","","1.158","","","","has coordinates,has disorder","241050","2020-10-21","18:00:00",""
"4130659","55.402","0.009","18.757","0.003","14.45","0.003","90","","102.502","0.003","90","","14660","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 O3 S8 Si8 -","- C56 H76 O3 S8 Si8 -","- C448 H608 O24 S64 Si64 -","8","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.1184","0.0888","","","0.2029","0.2188","","","","","","1.057","","","","has coordinates","241051","2020-10-21","18:00:00",""
"4130660","10.775","0.002","11.514","0.003","18.195","0.004","87.775","0.004","86.31","0.004","67.205","0.003","2076.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 I4 S4 Si4 -","- C28 H36 I4 S4 Si4 -","- C56 H72 I8 S8 Si8 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.055","0.0424","","","0.1071","0.1156","","","","","","1.086","","","","has coordinates","241052","2020-10-21","18:00:00",""
"4130661","10.918","0.006","12.793","0.006","14.3","0.007","91.596","0.009","104.851","0.009","113.229","0.009","1755.3","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 S4 Si4 -","- C28 H40 S4 Si4 -","- C56 H80 S8 Si8 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.1731","0.0658","","","0.0935","0.1069","","","","","","0.987","","","","has coordinates","241053","2020-10-21","18:00:00",""
"4130662","10.434","0.009","15.47","0.013","20.322","0.017","89.347","0.018","83.228","0.017","75.451","0.016","3152","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H114 Cl8 S12 Si12 -","- C86 H114 Cl8 S12 Si12 -","- C86 H114 Cl8 S12 Si12 -","1","0.5","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.2079","0.0944","","","0.1803","0.2065","","","","","","1.098","","","","has coordinates","241054","2020-10-21","18:00:00",""
"4130663","10.2081","0.0006","14.0993","0.0008","14.1207","0.0008","84.199","0.001","71.431","0.001","80.423","0.001","1897.18","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 I2 O2 S4 Si4 -","- C28 H38 I2 O2 S4 Si4 -","- C56 H76 I4 O4 S8 Si8 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.0574","0.0483","","","0.1336","0.1429","","","","","","1.063","","","","has coordinates","241055","2020-10-21","18:00:00",""
"4130664","12.2794","0.0007","19.0648","0.0011","23.574","0.0013","90","","100.784","0.001","90","","5421.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 S6 Si6 -","- C42 H58 S6 Si6 -","- C168 H232 S24 Si24 -","4","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.0893","0.0477","","","0.1218","0.1368","","","","","","1.019","","","","has coordinates","241056","2020-10-21","18:00:00",""
"4130665","15.795","0.007","16.151","0.007","23.422","0.01","79.086","0.008","82.483","0.007","66.948","0.008","5388","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H112 S12 Si12 -","- C84 H112 S12 Si12 -","- C168 H224 S24 Si24 -","2","1","","Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua","Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.","Journal of the American Chemical Society","2016","138","31","10002","10010","10.1021/jacs.6b05709","","","0.71073","MoKα","","0.1747","0.1037","","","0.2368","0.2558","","","","","","1.188","","","","has coordinates","241057","2020-10-21","18:00:00",""
"4130666","13.9954","0.0006","14.7458","0.0006","12.9012","0.0006","90","","90.001","0.002","90","","2662.5","0.2","100","","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Ce Cl6 N2 -","- C16 H40 Ce Cl6 N2 -","- C64 H160 Ce4 Cl24 N8 -","4","1","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0263","0.0195","","","0.0669","0.0728","","","","","","1.159","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4130667","18.102","0.003","12.1714","0.001","20.8315","0.0016","90","","91.349","0.002","90","","4588.5","0.9","100","","100","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H72 Ce Cl6 N7 -","- C32 H72 Ce Cl6 N7 -","- C128 H288 Ce4 Cl24 N28 -","4","0.5","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0299","0.0255","","","0.058","0.0617","","","","","","1.089","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4130668","11.7573","0.0014","17.709","0.002","12.2838","0.0014","90","","110.678","0.005","90","","2392.8","0.5","100","","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H60 Br6 Ce N3 -","- C24 H60 Br6 Ce N3 -","- C48 H120 Br12 Ce2 N6 -","2","0.5","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0194","0.0162","","","0.0369","0.0376","","","","","","1.048","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4130669","13.8555","0.0008","13.8676","0.0008","14.7764","0.0008","83.16","0.002","86.479","0.002","69.655","0.002","2642.5","0.3","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 Br Li N11 O4 -","- C56 H62 Br Li N11 O4 -","- C112 H124 Br2 Li2 N22 O8 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.0488","0.0424","","","0.106","0.1091","","","","","","1.057","","","","has coordinates,has disorder","241059","2020-10-21","18:00:00",""
"4130670","10.85","0.005","13.688","0.006","18.213","0.008","85.376","0.011","88.134","0.014","89.723","0.011","2695","2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 Cl Li N9 O7 -","- C54 H69 Cl Li N9 O7 -","- C108 H138 Cl2 Li2 N18 O14 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71075","MoKα","","0.1971","0.1309","","","0.2608","0.3001","","","","","","1.197","","","","has coordinates","241060","2020-10-21","18:00:00",""
"4130671","13.835","0.0003","13.911","0.0003","14.7899","0.0003","86.6932","0.0019","83.3607","0.0019","69.639","0.002","2650.23","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H65 Li N12 O6 -","- C56 H65 Li N12 O6 -","- C112 H130 Li2 N24 O12 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","x-ray","1.54184","CuKα","","0.043","0.0416","","","0.1043","0.1054","","","","","","1.024","","","","has coordinates","241061","2020-10-21","18:00:00",""
"4130672","13.9316","0.0019","18.999","0.003","20.79","0.003","113.997","0.003","97.902","0.004","97.286","0.004","4876.9","1.2","153.15","","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C53.5 H58.75 N10.25 O3 -","- C53.5 H58.75 N10.25 O3 -","- C214 H235 N41 O12 -","4","2","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.2202","0.0701","","","0.126","0.1561","","","","","","0.884","","","","has coordinates,has disorder","241062","2020-10-21","18:00:00",""
"4130673","10.8528","0.0002","13.6605","0.0003","18.1919","0.0003","85.4609","0.0014","88.1007","0.0015","89.6809","0.0017","2687.09","0.09","100.01","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 Cl Li N9 O7 -","- C54 H69 Cl Li N9 O7 -","- C108 H138 Cl2 Li2 N18 O14 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","1.54184","CuKα","","0.0427","0.0394","","","0.1012","0.104","","","","","","1.036","","","","has coordinates","241063","2020-10-21","18:00:00",""
"4130674","14.7928","0.0009","12.3477","0.0007","27.0073","0.0016","90","","98.997","0.002","90","","4872.4","0.5","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 Li N9 O8 -","- C51 H60 Li N9 O8 -","- C204 H240 Li4 N36 O32 -","4","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.1271","0.0861","","","0.2014","0.2241","","","","","","1.039","","","","has coordinates","241064","2020-10-21","18:00:00",""
"4130675","9.7","0.002","12.142","0.003","20.293","0.005","93.671","0.015","101.175","0.007","102.189","0.007","2278.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H60 N8 O6 -","- C50 H59.72 N8 O6 -","- C100 H119.44 N16 O12 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.0819","0.0594","","","0.1436","0.1601","","","","","","1.034","","","","has coordinates,has disorder","241065","2020-10-21","18:00:00",""
"4130676","13.8691","0.0014","13.9169","0.0014","14.7837","0.0014","87.019","0.003","83.805","0.003","69.563","0.003","2657.9","0.5","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 I Li N11 O4 -","- C56 H64 I Li N11 O4 -","- C112 H128 I2 Li2 N22 O8 -","2","1","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.0483","0.0426","","","0.1023","0.105","","","","","","1.071","","","","has coordinates,has disorder","241066","2020-10-21","18:00:00",""
"4130677","11.3956","0.0006","20.1626","0.0011","23.5767","0.0013","110.412","0.002","99.661","0.002","90.596","0.002","4991","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52.5 H68 N8 O7.5 -","- C52.5 H66.79 N8 O7.29 -","- C210 H267.16 N32 O29.16 -","4","2","","He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.","Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.","Journal of the American Chemical Society","2016","138","31","9779","9782","10.1021/jacs.6b05713","","","0.71073","MoKα","","0.1912","0.099","","","0.1814","0.2231","","","","","","1.028","","","","has coordinates,has disorder","241067","2020-10-21","18:00:00",""
"4130678","38.659","0.004","38.659","0.004","8.5638","0.0009","90","","90","","120","","11084","2","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","Mn2Cl2BTDD","Mn2Cl2 bibenzotriazoledibenzodioxin","","- C4.5 H1.5 Cl0.75 Mn0.75 N2.25 O2.4 -","- C4.5 H1.5 Cl0.75 Mn0.75 N2.25 O2.4 -","- C108 H36 Cl18 Mn18 N54 O57.6 -","24","0.666667","","Rieth, Adam J.; Tulchinsky, Yuri; Dincă, Mircea","High and Reversible Ammonia Uptake in Mesoporous Azolate Metal-Organic Frameworks with Open Mn, Co, and Ni Sites.","Journal of the American Chemical Society","2016","138","30","9401","9404","10.1021/jacs.6b05723","","","0.71073","MoKα","","0.1154","0.088","","","0.2584","0.2843","","","","","","1.105","","","","has coordinates,has disorder","241068","2020-10-21","18:00:00",""
"4130679","14.281","0.003","13.986","0.003","29.181","0.006","90","","94.55","0.03","90","","5810","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H66 B N P3 Ru Si -","- C69 H66 B N P3 Ru Si -","- C276 H264 B4 N4 P12 Ru4 Si4 -","4","1","","Lipke, Mark C.; Liberman-Martin, Allegra L; Tilley, T. Don","Significant Cooperativity Between Ruthenium and Silicon in Catalytic Transformations of an Isocyanide.","Journal of the American Chemical Society","2016","138","30","9704","9713","10.1021/jacs.6b05736","","","0.71073","MoKα","","0.1612","0.0655","","","0.1273","0.1531","","","","","","0.948","","","","has coordinates,has disorder","241069","2020-10-21","18:00:00",""
"4130680","31.304","0.013","7.83","0.003","12.515","0.006","90","","110.626","0.006","90","","2871","2","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C31 H27 Cl2 F2 N O5 S -","- C31 H27 Cl2 F2 N O5 S -","- C124 H108 Cl8 F8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.036","","","","0.0854","","","","","","1","","","","has coordinates","241070","2020-10-21","18:00:00",""
"4130681","7.0524","0.001","15.8433","0.0022","25.4267","0.0031","90","0","90","0","90","0","2841","0.7","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl2 N2 O7 S2 -","- C28 H25 Cl2 N2 O7 S2.375 -","- C112 H100 Cl8 N8 O28 S9.5 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0416","","","","0.0989","","","","","","1","","","","has coordinates","241071","2020-10-21","18:00:00",""
"4130682","7.2097","0.0016","15.714","0.004","15.938","0.004","90","","90","","90","","1805.7","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Cl N2 O6 -","- C20 H13 Cl N2 O6 -","- C80 H52 Cl4 N8 O24 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0393","","","","0.0883","","","","","","1","","","","has coordinates","241072","2020-10-21","18:00:00",""
"4130683","24.814","0.007","7.7307","0.0017","19.58","0.005","90","","126.078","0.003","90","","3035.7","1.3","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H27 Cl2 F4 N O5 S -","- C32 H27 Cl2 F4 N O5 S -","- C128 H108 Cl8 F16 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0385","","","","0.0906","","","","","","1","","","","has coordinates","241073","2020-10-21","18:00:00",""
"4130684","5.9025","0.0014","12.201","0.003","12.309","0.003","90","","101.322","0.004","90","","869.2","0.4","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl2 N O4 -","- C20 H13 Cl2 N O4 -","- C40 H26 Cl4 N2 O8 -","2","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0422","","","","0.0977","","","","","","1","","","","has coordinates","241074","2020-10-21","18:00:00",""
"4130685","10.5269","0.0013","11.2332","0.0014","26.231","0.003","90","","90","","90","","3101.8","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Cl2 N O5 S -","- C34 H35 Cl2 N O5 S -","- C136 H140 Cl8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0467","","","","0.1116","","","","","","1","","","","has coordinates","241075","2020-10-21","18:00:00",""
"4130686","13.373","0.004","7.84","0.002","18.371","0.006","90","","109.497","0.005","90","","1815.7","0.9","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N2 O6 -","- C20 H13 Cl N2 O6 -","- C80 H52 Cl4 N8 O24 -","4","2","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0604","","","","0.1009","","","","","","1.01","","","","has coordinates","241076","2020-10-21","18:00:00",""
"4130687","7.5905","0.0015","33.801","0.006","12.053","0.002","90","","107.278","0.003","90","","2952.9","0.9","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H26 Cl2 F3 N O5 S -","- C31 H26 Cl2 F3 N O5 S -","- C124 H104 Cl8 F12 N4 O20 S4 -","4","2","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0402","","","","0.0961","","","","","","1","","","","has coordinates","241077","2020-10-21","18:00:00",""
"4130688","33.429","0.009","7.7463","0.0016","12.033","0.003","90","","110.194","0.004","90","","2924.4","1.2","93","","93","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C31 H27 Cl2 F2 N O5 S -","- C31 H27 Cl2 F2 N O5 S -","- C124 H108 Cl8 F8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0437","","","","0.1023","","","","","","1","","","","has coordinates","241078","2020-10-21","18:00:00",""
"4130689","9.7686","0.0006","10.9965","0.0007","17.577","0.0011","74.913","0.006","75.946","0.005","75.948","0.006","1735.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C76 H92 N4 O12 -","4","2","","Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert","Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.","Journal of the American Chemical Society","2016","138","32","10304","10313","10.1021/jacs.6b05768","","","0.71073","MoKα","","0.0726","0.0499","","","0.1133","0.1312","","","","","","1.028","","","","has coordinates","241079","2020-10-21","18:00:00",""
"4130690","10.4286","0.0006","17.5922","0.001","17.2786","0.0011","90","","103.094","0.006","90","","3087.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H42 N2 O4 -","- C35 H42 N2 O4 -","- C140 H168 N8 O16 -","4","1","","Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert","Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.","Journal of the American Chemical Society","2016","138","32","10304","10313","10.1021/jacs.6b05768","","","0.71073","MoKα","","0.112","0.041","","","0.0709","0.0795","","","","","","0.763","","","","has coordinates","241079","2020-10-21","18:00:00",""
"4130691","10.8984","0.0011","11.283","0.0013","16.594","0.0018","90","","93.39","0.003","90","","2036.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl O4 -","- C23 H25 Cl O4 -","- C92 H100 Cl4 O16 -","4","1","","Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert","Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.","Journal of the American Chemical Society","2016","138","32","10304","10313","10.1021/jacs.6b05768","","","0.71073","MoKα","","0.0829","0.0399","","","0.0859","0.0995","","","","","","1.015","","","","has coordinates","241079","2020-10-21","18:00:00",""
"4130692","8.2713","0.0001","17.2458","0.0002","18.0598","0.0002","90","","90","","90","","2576.14","0.05","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0396","0.0357","","","0.1045","0.1128","","","","","","1.081","","","","has coordinates","241080","2020-10-21","18:00:00",""
"4130693","7.5991","0.0003","18.8542","0.0009","20.2166","0.0011","90","","90","","90","","2896.5","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 O3 -","- C14 H17 Cl N2 O3 -","- C112 H136 Cl8 N16 O24 -","8","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0824","0.0663","","","0.185","0.207","","","","","","1.074","","","","has coordinates","241081","2020-10-21","18:00:00",""
"4130694","8.7063","0.0003","17.9769","0.0007","8.8307","0.0003","90","","103.621","0.004","90","","1343.24","0.09","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C60 H80 N8 O4 -","4","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0461","0.0429","","","0.1158","0.1196","","","","","","1.068","","","","has coordinates","241082","2020-10-21","18:00:00",""
"4130695","35.0615","0.0011","14.9665","0.0003","30.3099","0.0007","90","","101.487","0.002","90","","15586.5","0.7","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.71 H62.97 I6.03 N12 O4.1 Zn3 -","- C65.714 H62.98 I6.0277 N12 O4.101 Zn3 -","- C525.712 H503.84 I48.2216 N96 O32.808 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","0.71073","MoKα","","0.0743","0.0553","","","0.1585","0.1719","","","","","","1.1","","","","has coordinates,has disorder","241083","2020-10-21","18:00:00",""
"4130696","34.44","0.002","14.9178","0.0008","29.894","0.002","90","","99.307","0.006","90","","15156.4","1.6","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.6 H59.36 I6.02 N12 O2.55 Zn3 -","- C52.62 H59.392 I6.019 N12 O2.555 Zn3 -","- C420.96 H475.136 I48.152 N96 O20.44 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","1.54184","CuKα","","0.135","0.0969","","","0.2784","0.3075","","","","","","1.062","","","","has coordinates,has disorder","241084","2020-10-21","18:00:00",""
"4130697","34.8492","0.0012","14.8584","0.0005","31.0351","0.001","90","","101.858","0.003","90","","15727.1","0.9","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.08 H52.04 I6 N12 O4.47 Zn3 -","- C62.405 H53.761 I6 N12 O5.122 Zn3 -","- C499.24 H430.088 I48 N96 O40.976 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","1.54184","CuKα","","0.0792","0.0699","","","0.2045","0.2142","","","","","","1.046","","","","has coordinates,has disorder","241085","2020-10-21","18:00:00",""
"4130698","35.5334","0.0009","14.9227","0.0003","30.6034","0.001","90","","102.176","0.003","90","","15862.5","0.8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.34 H67.68 I6 N12 O4.82 Zn3 -","- C65.348 H67.688 I6.0001 N12 O4.824 Zn3 -","- C522.784 H541.504 I48.0008 N96 O38.592 Zn24 -","8","1","","Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto","X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.","Journal of the American Chemical Society","2016","138","32","10140","10142","10.1021/jacs.6b05817","","","1.54184","CuKα","","0.066","0.0621","","","0.1783","0.1845","","","","","","1.027","","","","has coordinates,has disorder","241086","2020-10-21","18:00:00",""
"4130699","10.2354","0.0005","22.4215","0.0011","20.0452","0.001","90","","92.5728","0.0016","90","","4595.6","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Al2 Cl4 F48 N2 O12 -","- C71.976 H67.982 Al2 Cl4 F47.964 N2 O11.994 -","- C143.952 H135.964 Al4 Cl8 F95.928 N4 O23.988 -","2","0.5","","Li, Tao; Tan, Gengwen; Shao, Dong; Li, Jing; Zhang, Zaichao; Song, You; Sui, Yunxia; Chen, Sheng; Fang, Yong; Wang, Xinping","Magnetic Bistability in a Discrete Organic Radical.","Journal of the American Chemical Society","2016","138","32","10092","10095","10.1021/jacs.6b05863","","","0.71073","MoKα","","0.0962","0.0643","","","0.174","0.1956","","","","","","1.074","","","","has coordinates,has disorder","241087","2020-10-21","18:00:00",""
"4130700","10.0924","0.0007","22.1142","0.0015","20.0895","0.0014","90","","92.8778","0.0019","90","","4478","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Al2 Cl4 F48 N2 O12 -","- C72 H68 Al2 Cl4 F48 N2 O12 -","- C144 H136 Al4 Cl8 F96 N4 O24 -","2","0.5","","Li, Tao; Tan, Gengwen; Shao, Dong; Li, Jing; Zhang, Zaichao; Song, You; Sui, Yunxia; Chen, Sheng; Fang, Yong; Wang, Xinping","Magnetic Bistability in a Discrete Organic Radical.","Journal of the American Chemical Society","2016","138","32","10092","10095","10.1021/jacs.6b05863","","","0.71073","MoKα","","0.0661","0.0492","","","0.1222","0.1324","","","","","","1.041","","","","has coordinates,has disorder","241089","2020-10-21","18:00:00",""
"4130701","8.7573","0.0007","9.2971","0.0008","17.9518","0.0015","96.322","0.001","96.085","0.001","98.476","0.001","1425.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Co N5 O -","- C16 H12 Co N5 O -","- C64 H48 Co4 N20 O4 -","4","2","","Walter, Melody R.; Dzul, Stephen P.; Rodrigues, Andria V.; Stemmler, Timothy L.; Telser, Joshua; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","Synthesis of Co(II)-NO(-) Complexes and Their Reactivity as a Source of Nitroxyl.","Journal of the American Chemical Society","2016","138","38","12459","12471","10.1021/jacs.6b05896","","","0.71073","MoKα","","0.0511","0.0487","","","0.1327","0.1355","","","","","","1.086","","","","has coordinates,has disorder","241090","2020-10-21","18:00:00",""
"4130702","21.947","0.004","31.682","0.006","32.585","0.007","68.47","0.03","71.98","0.03","87.32","0.03","19985","9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C189.74 H179.72 Cl20.22 F4 N33 O33.99 -","- C189.74 H178.74 Cl20.2185 F4 N33 O33.988 -","- C758.958 H714.958 Cl80.874 F16 N132 O135.952 -","4","2","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","0.85043","synchrotron","","0.235","0.1604","","","0.4103","0.4591","","","","","","1.577","","","","has coordinates,has disorder","241091","2020-10-21","18:00:00",""
"4130703","49.748","0.006","20.6649","0.0007","44.655","0.003","90","","120.124","0.007","90","","39707","6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C172.93 H161.93 Cl11.79 F3 N31 O31 -","- C172.933 H161.933 Cl11.799 F3 N31 O31 -","- C1383.46 H1295.46 Cl94.392 F24 N248 O248 -","8","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.185","0.1376","","","0.3487","0.37","","","","","","2.072","","","","has coordinates,has disorder","241092","2020-10-21","18:00:00",""
"4130704","50.2","0.01","20.65","0.004","44.5","0.009","90","","119.95","0.03","90","","39970","18","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C176.69 H170.65 Cl26.07 F2 N32 O34.03 -","- C176.692 H166.192 Cl26.076 F2 N32 O34.034 -","- C1413.54 H1329.54 Cl208.608 F16 N256 O272.272 -","8","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.1448","0.1189","","","0.3267","0.3453","","","","","","1.263","","","","has coordinates,has disorder","241093","2020-10-21","18:00:00",""
"4130705","49.435","0.003","20.803","0.0006","44.896","0.002","90","","120.02","0.002","90","","39977","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C175.19 H167.07 Cl18.58 F3 N31 O33.45 -","- C175.188 H164.188 Cl18.564 F3 N31 O33.454 -","- C1401.5 H1313.5 Cl148.512 F24 N248 O267.632 -","8","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.2248","0.1826","","","0.4648","0.492","","","","","","1.643","","","","has coordinates,has disorder","241094","2020-10-21","18:00:00",""
"4130706","21.071","0.004","24.247","0.005","25.223","0.005","73.88","0.03","76.97","0.03","69.57","0.03","11482","5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C195.18 H194.65 Cl18.55 F4 N33 O35.73 -","- C195.176 H191.176 Cl18.528 F4 N33 O35.735 -","- C390.352 H382.352 Cl37.056 F8 N66 O71.47 -","2","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.2266","0.1841","","","0.4481","0.4747","","","","","","1.672","","","","has coordinates,has disorder","241095","2020-10-21","18:00:00",""
"4130707","19.64","0.004","22.54","0.005","39.4","0.008","90","","101.49","0.03","90","","17092","6","130","2","130","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C141.74 H140.4 Cl5.22 N28 O31.34 -","- C141.742 H133.742 Cl5.226 N28 O31.334 -","- C566.968 H534.968 Cl20.904 N112 O125.336 -","4","1","","Lautrette, Guillaume; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Iterative Evolution of an Abiotic Foldamer Sequence for the Recognition of Guest Molecules with Atomic Precision.","Journal of the American Chemical Society","2016","138","32","10314","10322","10.1021/jacs.6b05913","","","1.54178","CuKα","","0.2255","0.1937","","","0.4856","0.5086","","","","","","1.836","","","","has coordinates,has disorder","241096","2020-10-21","18:00:00",""
"4130708","26.125","0.002","13.1556","0.001","15.3654","0.0012","90","","108.347","0.003","90","","5012.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H58 N6 O2 Ti -","- C58 H50 N6 O Ti -","- C232 H200 N24 O4 Ti4 -","4","0.5","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.1016","0.0641","","","0.1417","0.1563","","","","","","1.076","","","","has coordinates,has disorder","241097","2020-10-21","18:00:00",""
"4130709","13.9916","0.0008","14.6671","0.0008","15.0683","0.0009","67.0258","0.0014","64.2263","0.0015","80.3251","0.0015","2563.8","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H52 Cl4 N6 Zr -","- C55 H44 Cl2 N6 Zr -","- C110 H88 Cl4 N12 Zr2 -","2","1","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.0953","0.062","","","0.1639","0.1813","","","","","","1.063","","","","has coordinates","241098","2020-10-21","18:00:00",""
"4130710","14.033","0.001","15.4827","0.001","18.3458","0.0014","66.7781","0.0019","68.3245","0.0019","78.74","0.002","3398.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80.5 H86 Li N6 O4 Ti -","- C80.5 H86 Li N6 O4 Ti -","- C161 H172 Li2 N12 O8 Ti2 -","2","1","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.1131","0.0639","","","0.1397","0.1698","","","","","","1.02","","","","has coordinates,has disorder","241099","2020-10-21","18:00:00",""
"4130711","15.2333","0.0006","21.899","0.0009","15.621","0.0008","90","","113.682","0.0013","90","","4772.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 Cl2 N3 -","- C28 H25 Cl2 N3 -","- C224 H200 Cl16 N24 -","8","1","","Zhang, Yu; Petersen, Jeffrey L.; Milsmann, Carsten","A Luminescent Zirconium(IV) Complex as a Molecular Photosensitizer for Visible Light Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","40","13115","13118","10.1021/jacs.6b05934","","","0.71073","MoKα","","0.0758","0.0609","","","0.1708","0.1836","","","","","","1.029","","","","has coordinates","241100","2020-10-21","18:00:00",""
"4130712","7.087","0.0006","9.4712","0.0008","14.736","0.0013","90","","95.033","0.002","90","","985.3","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Y-PT","toste138","","- C25 H21 Br O2 -","- C25 H21 Br O2 -","- C50 H42 Br2 O4 -","2","1","","Yang, Zhenyu; He, Ying; Toste, F. Dean","Biomimetic Approach to the Catalytic Enantioselective Synthesis of Flavonoids.","Journal of the American Chemical Society","2016","138","31","9775","9778","10.1021/jacs.6b05939","","","0.71073","MoKα","","0.0304","0.0276","","","0.0659","0.0669","","","","","","1.063","","","","has coordinates","241101","2020-10-21","18:00:00",""
"4130713","17.2028","0.0013","15.4349","0.0011","11.5463","0.0008","90","","90.05","0.003","90","","3065.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl8 N5 O7 Ru2 -","- C22 H16 Cl8 N5 O7 Ru2 -","- C88 H64 Cl32 N20 O28 Ru8 -","4","1","","Corcos, Amanda R.; Pap, József S; Yang, Tzuhsiung; Berry, John F.","A Synthetic Oxygen Atom Transfer Photocycle from a Diruthenium Oxyanion Complex.","Journal of the American Chemical Society","2016","138","31","10032","10040","10.1021/jacs.6b05942","","x-ray","0.71073","MoKα","","0.0271","0.0258","","","0.0667","0.0683","","","","","","1.075","","","","has coordinates,has disorder","241102","2020-10-21","18:00:00",""
"4130714","11.5392","0.0006","16.7038","0.0009","16.6387","0.0009","90","","93.965","0.003","90","","3199.4","0.3","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl9 N4 O8 Ru2 -","- C22 H16 Cl9 N4 O8 Ru2 -","- C88 H64 Cl36 N16 O32 Ru8 -","4","1","","Corcos, Amanda R.; Pap, József S; Yang, Tzuhsiung; Berry, John F.","A Synthetic Oxygen Atom Transfer Photocycle from a Diruthenium Oxyanion Complex.","Journal of the American Chemical Society","2016","138","31","10032","10040","10.1021/jacs.6b05942","","x-ray","0.71073","MoKα","","0.0617","0.0473","","","0.1021","0.1122","","","","","","1.058","","","","has coordinates,has disorder","241102","2020-10-21","18:00:00",""
"4130715","10.0156","0.0004","8.0639","0.0003","22.8556","0.0009","90","","97.721","0.001","90","","1829.19","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","197","","","- C23 H23 N O S -","- C23 H23 N O S -","- C92 H92 N4 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.06","0.0457","","","0.1099","0.1167","","","","","","1.068","","","","has coordinates,has disorder","241103","2020-10-21","18:00:00",""
"4130716","9.3079","0.0008","12.1781","0.0012","13.2465","0.0013","106.732","0.003","92.499","0.003","108.633","0.003","1347.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","8-2","","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","2","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.0804","0.0575","","","0.1193","0.1287","","","","","","1.075","","","","has coordinates","241104","2020-10-21","18:00:00",""
"4130717","8.331","0.0004","9.1106","0.0004","11.7677","0.0005","78.4434","0.0013","88.9037","0.0013","63.9928","0.0011","784.06","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.037","0.0335","","","0.0856","0.088","","","","","","1.051","","","","has coordinates","241104","2020-10-21","18:00:00",""
"4130718","9.7376","0.0003","18.717","0.0006","8.9622","0.0003","90","","97.579","0.001","90","","1619.17","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","48-2","","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Reiner, Anne; Trommer, Florian; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Twisted Hemithioindigo Photoswitches: Solvent Polarity Determines the Type of Light-Induced Rotations.","Journal of the American Chemical Society","2016","138","37","12219","12227","10.1021/jacs.6b05981","","","0.71073","MoKα","","0.0521","0.0401","","","0.0987","0.109","","","","","","1.059","","","","has coordinates","241104","2020-10-21","18:00:00",""
"4130719","10.6412","0.0004","21.109","0.0007","24.0776","0.0008","90","","98.404","0.001","90","","5350.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53.92 H70.81 Cl5.04 N O3 P Pd -","- C53.924 H70.81 Cl5.038 N O3 P Pd -","- C215.696 H283.24 Cl20.152 N4 O12 P4 Pd4 -","4","1","","Arrechea, Pedro Luis; Buchwald, Stephen L.","Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination.","Journal of the American Chemical Society","2016","138","38","12486","12493","10.1021/jacs.6b05990","","","0.71073","MoKα","","0.0423","0.0357","","","0.0918","0.0955","","","","","","1.089","","","","has coordinates,has disorder","241105","2020-10-21","18:00:00",""
"4130720","17.8561","0.0014","18.1897","0.0014","19.0033","0.0014","72.848","0.001","79.98","0.001","77.541","0.001","5718.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61.55 H82.84 N O5 P Pd -","- C61.5493 H82.8583 N O5 P Pd -","- C246.197 H331.433 N4 O20 P4 Pd4 -","4","2","","Arrechea, Pedro Luis; Buchwald, Stephen L.","Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination.","Journal of the American Chemical Society","2016","138","38","12486","12493","10.1021/jacs.6b05990","","","0.71073","MoKα","","0.0619","0.0413","","","0.101","0.114","","","","","","1.032","","","","has coordinates,has disorder","241106","2020-10-21","18:00:00",""
"4130721","16.647","0.0019","20.8853","0.0012","31.0722","0.0013","72.542","0.003","76.013","0.002","70.335","0.003","9584.6","1.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C150 H225 Au21 S15 -","- C150 H225 Au21 S15 -","- C300 H450 Au42 S30 -","2","1","","Chen, Shuang; Xiong, Lin; Wang, Shuxin; Ma, Zhongyun; Jin, Shan; Sheng, Hongting; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au21(S-Adm)15 and Geometrical/Electronic Structure Evolution of Thiolated Gold Nanoclusters.","Journal of the American Chemical Society","2016","138","34","10754","10757","10.1021/jacs.6b06004","","","0.71073","MoKα","","0.0727","0.0517","","","0.1169","0.1208","","","","","","1.028","","","","has coordinates","241107","2020-10-21","18:00:00",""
"4130722","9.168","0.005","18.831","0.005","16.883","0.005","90","","101.02","0.005","90","","2861","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 B Co N O3 P2 -","- C26 H47 B Co N O3 P2 -","- C104 H188 B4 Co4 N4 O12 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0364","0.0281","","","0.0695","0.0806","","","","","","1.075","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130723","10.759","0.002","15.982","0.003","19.173","0.004","90","","93.152","0.004","90","","3291.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 B Co N2 O2 P2 -","- C29 H56 B Co N2 O2 P2 -","- C116 H224 B4 Co4 N8 O8 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0918","0.0822","","","0.205","0.2107","","","","","","1.152","","","","has coordinates,has disorder","241108","2020-10-21","18:00:00",""
"4130724","9.9557","0.0004","16.117","0.0006","20.4822","0.0009","90","","98.647","0.002","90","","3249.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H54 B Co N4 O2 P2 -","- C29 H54 B Co N4 O2 P2 -","- C116 H216 B4 Co4 N16 O8 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.09","0.0456","","","0.0877","0.1025","","","","","","1.019","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130725","11.6915","0.0005","12.0608","0.0004","13.9689","0.0005","73.388","0.001","82.644","0.001","85.856","0.001","1870.67","0.12","101","2","101","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H63 B Cl Ir N2 O3 P2 -","- C33 H63 B Cl Ir N2 O3 P2 -","- C66 H126 B2 Cl2 Ir2 N4 O6 P4 -","2","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0257","0.0235","","","0.054","0.056","","","","","","1.124","","","","has coordinates,has disorder","241108","2020-10-21","18:00:00",""
"4130726","9.5","0.0003","17.9686","0.0006","10.8015","0.0004","90","","114.926","0.001","90","","1672.09","0.1","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H56 B Ir N2 O2 P2 -","- C29 H56 B Ir N2 O2 P2 -","- C58 H112 B2 Ir2 N4 O4 P4 -","2","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","0.71073","MoKα","","0.0179","0.0169","","","0.0417","0.042","","","","","","1.089","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130727","10.9273","0.0004","13.5197","0.0005","21.0752","0.0007","76.249","0.002","79.975","0.002","83.708","0.002","2970.52","0.19","107","2","107","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H46 B Cl Co N O2 P2 -","- C25 H46 B Cl Co N O2 P2 -","- C100 H184 B4 Cl4 Co4 N4 O8 P8 -","4","2","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","1.54178","CuKα","","0.0741","0.0651","","","0.1586","0.166","","","","","","1.103","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130728","11.1743","0.0002","22.1777","0.0005","14.5277","0.0003","90","","90.804","0.001","90","","3599.9","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H60 B2 Co N O4 P2 -","- C31 H60 B2 Co N O4 P2 -","- C124 H240 B8 Co4 N4 O16 P8 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design.","Journal of the American Chemical Society","2016","138","33","10645","10653","10.1021/jacs.6b06144","","","1.54178","CuKα","","0.0369","0.0341","","","0.0818","0.0843","","","","","","1.072","","","","has coordinates","241108","2020-10-21","18:00:00",""
"4130729","6.4718","0.0004","7.7276","0.0006","7.9956","0.0005","68.426","0.007","85.638","0.005","87.899","0.006","370.76","0.05","293","2","293.15","","","","","","","","","4","P 1","P 1","1","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C17 H15 N O4 -","1","1","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54184","CuKα","","0.0394","0.0366","","","0.0983","0.1025","","","","","","1.034","","","","has coordinates","241109","2020-10-21","18:00:00",""
"4130730","5.7846","0.0018","10.081","0.002","20.654","0.018","90","","95.51","0.03","90","","1198.9","1.1","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C54 H50 N2 O10 -","2","1","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54178","CuKα","","0.0692","0.0653","","","0.2178","0.2209","","","","","","1.019","","","","has coordinates","241110","2020-10-21","18:00:00",""
"4130731","14.8428","0.0004","18.9967","0.0006","10.3327","0.0003","90","","90","","90","","2913.45","0.15","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H18 N0 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","2","","Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin","An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones.","Journal of the American Chemical Society","2016","138","35","11093","11096","10.1021/jacs.6b06156","","","1.54178","CuKα","","0.0292","0.0285","","","0.0785","0.0792","","","","","","1.047","","","","has coordinates","241111","2020-10-21","18:00:00",""
"4130732","6.6302","0.0002","7.9041","0.0002","26.5947","0.0008","90","","90","","90","","1393.72","0.07","125","2","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aR,7aS)-3a-(3,4-Dimethoxyphenyl)hexahydrobenzofuran-2,4-dione","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","x-ray","1.54178","CuKα","","0.0284","0.0281","","","0.0721","0.0725","","","","","","1.084","","","","has coordinates","241112","2020-10-21","18:00:00",""
"4130733","10.7939","0.0002","6.1019","0.0001","11.603","0.0003","90","","109.966","0.001","90","","718.28","0.03","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aR,7aS)-3a-Benzyl-6,6-dimethylhexahydrobenzofuran-2,4-dione","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","x-ray","1.54178","CuKα","","0.027","0.0261","","","0.0639","0.0646","","","","","","1.047","","","","has coordinates","241113","2020-10-21","18:00:00",""
"4130734","5.8192","0.0001","8.5684","0.0002","29.2539","0.0005","90","","90","","90","","1458.64","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,7aS)-3a-Benzyl-6,6-dimethylhexahydrobenzofuran-2,4-dione","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","","1.54178","CuKα","","0.0337","0.0327","","","0.0837","0.0844","","","","","","1.1","","","","has coordinates","241114","2020-10-21","18:00:00",""
"4130735","18.126","0.014","20.015","0.015","21.79","0.016","109.155","0.009","103.794","0.009","99.7","0.01","6985","9","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C2.48 H1.71 Cl0.05 O0.45 P0.05 Rh0.05 Zr0.08 -","- C2.45333 H1.70667 Cl0.0533333 O0.453333 P0.0533333 Rh0.0533333 Zr0.08 -","- C184 H128 Cl4 O34 P4 Rh4 Zr6 -","75","37.5","","Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin","Metal-Organic Frameworks Stabilize Mono(phosphine)-Metal Complexes for Broad-Scope Catalytic Reactions.","Journal of the American Chemical Society","2016","138","31","9783","9786","10.1021/jacs.6b06239","","","0.41328","synchrotron","","0.1636","0.1189","","","0.3042","0.3358","","","","","","1.113","","","","has coordinates,has disorder","241115","2020-10-21","18:00:00",""
"4130736","19.783","0.007","21.51","0.007","23.023","0.008","117.806","0.004","111.824","0.004","90.022","0.005","7862","5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2.61 Ir0.07 O0.61 P0.07 Zr0.1 -","- C2.61017 Ir0.0550847 O0.610169 P0.0677966 Zr0.101695 -","- C154 Ir3.25 O36 P4 Zr6 -","59","29.5","","Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin","Metal-Organic Frameworks Stabilize Mono(phosphine)-Metal Complexes for Broad-Scope Catalytic Reactions.","Journal of the American Chemical Society","2016","138","31","9783","9786","10.1021/jacs.6b06239","","","0.41328","synchrotron","","0.2091","0.1346","","","0.3304","0.3683","","","","","","1.045","","","","has coordinates","241116","2020-10-21","18:00:00",""
"4130737","9.9287","0.0003","23.4031","0.0007","13.6432","0.0004","90","","97.655","0.003","90","","3141.91","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-(2-(di-p-tolylmethoxy)vinyl)triphenylphosphonium trifluoromethanesulfonate","","- C36 H32 F3 O4 P S -","- C36 H32 F3 O4 P S -","- C144 H128 F12 O16 P4 S4 -","4","1","","Byrne, Peter A.; Karaghiosoff, Konstantin; Mayr, Herbert","Ambident Reactivity of Acetyl- and Formyl-Stabilized Phosphonium Ylides.","Journal of the American Chemical Society","2016","138","35","11272","11281","10.1021/jacs.6b06264","","","0.71073","MoKα","","0.0703","0.0482","","","0.116","0.1309","","","","","","1.029","","","","has coordinates","241117","2020-10-21","18:00:00",""
"4130738","14.8092","0.0003","18.0751","0.0003","25.1097","0.0004","90","","90","","90","","6721.3","0.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-(2-(di-p-tolylmethoxy)prop-1-en-1-yl)triphenylphosphonium trifluoromethanesulfonate","","- C37 H34 F3 O4 P S -","- C37 H34 F3 O4 P S -","- C296 H272 F24 O32 P8 S8 -","8","1","","Byrne, Peter A.; Karaghiosoff, Konstantin; Mayr, Herbert","Ambident Reactivity of Acetyl- and Formyl-Stabilized Phosphonium Ylides.","Journal of the American Chemical Society","2016","138","35","11272","11281","10.1021/jacs.6b06264","","","0.71073","MoKα","","0.06","0.0396","","","0.0901","0.1017","","","","","","1.022","","","","has coordinates","241117","2020-10-21","18:00:00",""
"4130739","13.6438","0.0015","18.702","0.002","23.756","0.003","78.05","0.006","76.92","0.006","72.03","0.006","5554.5","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","btpa_tcne","btpa_tcne","","- C47 H37 N5 -","- C47 H37 N5 -","- C282 H222 N30 -","6","3","","Li, Zhong'an; Zhu, Zonglong; Chueh, Chu-Chen; Jo, Sae Byeok; Luo, Jingdong; Jang, Sei-Hum; Jen, Alex K.-Y.","Rational Design of Dipolar Chromophore as an Efficient Dopant-Free Hole-Transporting Material for Perovskite Solar Cells.","Journal of the American Chemical Society","2016","138","36","11833","11839","10.1021/jacs.6b06291","","","0.71073","MoKα","","0.1543","0.0741","","","0.1726","0.2122","","","","","","1.021","","","","has coordinates,has disorder","241118","2020-10-21","18:00:00",""
"4130740","5.5631","0.0004","17.6908","0.0013","21.5907","0.0016","90","","90.0191","0.0013","90","","2124.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H29 N O S -","- C25 H29 N O S -","- C100 H116 N4 O4 S4 -","4","2","","Yang, Yang; Perry, Ian B.; Buchwald, Stephen L.","Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration.","Journal of the American Chemical Society","2016","138","31","9787","9790","10.1021/jacs.6b06299","","","0.71073","MoKα","","0.0472","0.0424","","","0.1017","0.1055","","","","","","1.05","","","","has coordinates,has disorder","241119","2020-10-21","18:00:00",""
"4130741","12.3219","0.0015","9.9416","0.0012","20.196","0.003","90","","107.031","0.003","90","","2365.5","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Br N O P -","- C27 H25 Br N O P -","- C108 H100 Br4 N4 O4 P4 -","4","2","","Yang, Yang; Perry, Ian B.; Buchwald, Stephen L.","Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration.","Journal of the American Chemical Society","2016","138","31","9787","9790","10.1021/jacs.6b06299","","","0.71073","MoKα","","0.0498","0.0444","","","0.1082","0.1112","","","","","","1.066","","","","has coordinates","241120","2020-10-21","18:00:00",""
"4130742","10.7037","0.0004","28.6071","0.001","9.3466","0.0003","90","","104.826","0.001","90","","2766.66","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 Cl N9 O9 -","- C19 H36 Cl N9 O9 -","- C76 H144 Cl4 N36 O36 -","4","1","","Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava","Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.","Journal of the American Chemical Society","2016","138","35","11113","11116","10.1021/jacs.6b06312","","","1.54178","CuKα","","0.0768","0.0722","","","0.2113","0.217","","","","","","1.003","","","","has coordinates","241121","2020-10-21","18:00:00",""
"4130743","18.376","0.005","7.384","0.002","26.915","0.007","90","","104.57","0.017","90","","3534.6","1.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N9 O5 S -","- C30 H40 N9 O5 S -","- C120 H160 N36 O20 S4 -","4","1","","Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava","Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.","Journal of the American Chemical Society","2016","138","35","11113","11116","10.1021/jacs.6b06312","","","1.54178","CuKα","","0.2718","0.2114","","","0.5036","0.5381","","","","","","1.415","","","","has coordinates","241121","2020-10-21","18:00:00",""
"4130744","18.411","0.004","7.3949","0.0016","26.935","0.006","90","","104.741","0.012","90","","3546.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N9 O5 S -","- C30 H40 N9 O5 S -","- C120 H160 N36 O20 S4 -","4","1","","Maity, Arunava; Gangopadhyay, Monalisa; Basu, Arghya; Aute, Sunil; Babu, Sukumaran Santhosh; Das, Amitava","Counteranion Driven Homochiral Assembly of a Cationic C3-Symmetric Gelator through Ion-Pair Assisted Hydrogen Bond.","Journal of the American Chemical Society","2016","138","35","11113","11116","10.1021/jacs.6b06312","","","1.54178","CuKα","","0.2643","0.1932","","","0.5014","0.523","","","","","","1.617","","","","has coordinates","241121","2020-10-21","18:00:00",""
"4130745","14.621","0.004","18.621","0.005","35.518","0.009","90","","94.254","0.003","90","","9643","4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C108 H82 B Cl F24 N2 P2 Pd S2 -","- C108 H82 B Cl F24 N2 P2 Pd S2 -","- C432 H328 B4 Cl4 F96 N8 P8 Pd4 S8 -","4","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.0477","0.0387","","","0.0918","0.0958","","","","","","1.032","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130746","12.15","0.003","17.777","0.004","17.946","0.004","116.317","0.003","90.327","0.003","102.374","0.003","3371.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H50 B Cl3 F24 N2 S2 -","- C71 H50 B Cl3 F24 N2 S2 -","- C142 H100 B2 Cl6 F48 N4 S4 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.08","0.0688","","","0.1808","0.1876","","","","","","1.009","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130747","15.027","0.003","20.486","0.004","20.641","0.004","60.504","0.003","86.726","0.003","89.857","0.003","5519.2","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H94 B Cl F24 N2 P2 Pd -","- C114 H94 B Cl F24 N2 P2 Pd -","- C228 H188 B2 Cl2 F48 N4 P4 Pd2 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.0817","0.0706","","","0.191","0.2008","","","","","","1.109","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130748","12.19","0.006","16.932","0.008","19.639","0.009","71.035","0.008","77.323","0.009","72.711","0.008","3626","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C82.25 H82.25 B Cl1.75 F4 N2 P2 Pd -","- C82.25 H82.25 B Cl1.75 F4 N2 P2 Pd -","- C164.5 H164.5 B2 Cl3.5 F8 N4 P4 Pd2 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.1983","0.1056","","","0.2099","0.2354","","","","","","1.048","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130749","15.619","0.003","15.985","0.003","19.52","0.003","90.505","0.003","106.024","0.003","111.977","0.003","4309.3","1.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42.5 Cl4 N4 O -","- C42 H42.5 Cl4 N4 O -","- C168 H170 Cl16 N16 O4 -","4","2","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.1266","0.0953","","","0.2797","0.3037","","","","","","1.11","","","","has coordinates","241122","2020-10-21","18:00:00",""
"4130750","11.827","0.003","18.13","0.005","19.269","0.005","62.886","0.004","86.197","0.004","82.33","0.004","3644.7","1.7","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H71 Cl N4 O P2 Pd -","- C77 H71 Cl N4 O P2 Pd -","- C154 H142 Cl2 N8 O2 P4 Pd2 -","2","1","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","x-ray","0.71073","MoKα","","0.0546","0.0388","","","0.0889","0.093","","","","","","1.009","","","","has coordinates","241122","2020-10-21","18:00:00",""
"4130751","17.769","0.006","19.107","0.006","20.541","0.007","70.719","0.005","82.106","0.005","89.436","0.005","6516","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76.375 H71.875 Br N2 O4 P2 Pd -","- C76.375 H71.875 Br N2 O4 P2 Pd -","- C305.5 H287.5 Br4 N8 O16 P8 Pd4 -","4","2","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.2377","0.1264","","","0.2228","0.247","","","","","","1.087","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130752","11.9738","0.0016","13.7936","0.0019","15.406","0.002","77.809","0.002","85.517","0.002","71.342","0.002","2356.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H100 Br2 N2 O4 P4 Pd2 -","- C112 H100 Br2 N2 O4 P4 Pd2 -","- C112 H100 Br2 N2 O4 P4 Pd2 -","1","0.5","","Davydenko, Iryna; Barlow, Stephen; Sharma, Rajesh; Benis, Sepehr; Simon, Janos; Allen, Taylor G.; Cooper, Matthew W.; Khrustalev, Victor; Jucov, Evgheni V.; Castañeda, Raúl; Ordonez, Carlos; Li, Zhong'an; Chi, San-Hui; Jang, Sei-Hum; Parker, Timothy C.; Timofeeva, Tatiana V.; Perry, Joseph W.; Jen, Alex K.-Y.; Hagan, David J.; Van Stryland, Eric W.; Marder, Seth R.","Facile Incorporation of Pd(PPh3)2Hal Substituents into Polymethines, Merocyanines, and Perylene Diimides as a Means of Suppressing Intermolecular Interactions.","Journal of the American Chemical Society","2016","138","32","10112","10115","10.1021/jacs.6b06361","","","0.71073","MoKα","","0.0433","0.0344","","","0.0948","0.0989","","","","","","0.997","","","","has coordinates,has disorder","241122","2020-10-21","18:00:00",""
"4130753","9.3355","0.0007","24.913","0.002","10.7218","0.0008","90","","90.679","0.001","90","","2493.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C108 H112 N8 O28 -","4","1","","Chen, Wenxin; Liu, Zheng; Tian, Jiaqi; Li, Jin; Ma, Jing; Cheng, Xu; Li, Guigen","Building Congested Ketone: Substituted Hantzsch Ester and Nitrile as Alkylation Reagents in Photoredox Catalysis.","Journal of the American Chemical Society","2016","138","38","12312","12315","10.1021/jacs.6b06379","","","0.71073","MoKα","","0.1185","0.0523","","","0.1332","0.155","","","","","","1.072","","","","has coordinates","241123","2020-10-21","18:00:00",""
"4130754","8.3624","0.0005","20.4468","0.0011","14.1835","0.0008","90","","94.472","0.004","90","","2417.8","0.2","110.15","","110.15","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 B Cl2 F4 Fe N2 Ni O2 S2 -","- C17 H25 B Cl2 F4 Fe N2 Ni O2 S2 -","- C68 H100 B4 Cl8 F16 Fe4 N8 Ni4 O8 S8 -","4","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","1.54178","CuKα","","0.1127","0.0747","","","0.1579","0.1771","","","","","","1.03","","","","has coordinates,has disorder","241124","2020-10-21","18:00:00",""
"4130755","23.578","0.003","30.074","0.004","12.5159","0.0017","90","","90","","90","","8875","2","150.15","","150.15","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2 -","- C15.4 H23.8 B Cl0.8 F4 Fe2 N3 O2 S2 -","- C246.4 H380.8 B16 Cl12.8 F64 Fe32 N48 O32 S32 -","16","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","0.71073","MoKα","","0.0314","0.0292","","","0.0776","0.0793","","","","","","1.057","","","","has coordinates","241124","2020-10-21","18:00:00",""
"4130756","25.518","0.009","7.333","0.003","22.821","0.008","90","","116.382","0.004","90","","3826","2","110.15","","110.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 B F4 Fe N2 Ni O S2 -","- C15 H23 B F4 Fe N2 Ni O S2 -","- C120 H184 B8 F32 Fe8 N16 Ni8 O8 S16 -","8","1","","Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts.","Journal of the American Chemical Society","2016","138","39","12920","12927","10.1021/jacs.6b06461","","","0.71073","MoKα","","0.0563","0.0368","","","0.0751","0.0837","","","","","","1.033","","","","has coordinates","241124","2020-10-21","18:00:00",""
"4130757","5.8732","0.0009","9.5089","0.0014","16.609","0.003","81.082","0.008","86.233","0.007","81.513","0.008","905.5","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H46 S4 -","- C42 H46 S4 -","- C42 H46 S4 -","1","0.5","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0665","0.055","","","0.15","0.1553","","","","","","1.01","","","","has coordinates","241125","2020-10-21","18:00:00",""
"4130758","7.6703","0.0006","21.0804","0.0008","22.2882","0.0009","70.261","0.004","80.257","0.005","89.482","0.005","3338.7","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H44 S2 -","- C46 H44 S2 -","- C184 H176 S8 -","4","2","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71073","MoKα","","0.168","0.0998","","","0.2443","0.3032","","","","","","1.037","","","","has coordinates","241126","2020-10-21","18:00:00",""
"4130759","18.49","0.03","6.052","0.007","19.25","0.03","90","","118.64","0.03","90","","1891","5","123","","123","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26 H22 S -","- C26 H22 S -","- C104 H88 S4 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.1901","0.0804","","","0.1847","0.2849","","","","","","1.057","","","","has coordinates,has disorder","241127","2020-10-21","18:00:00",""
"4130760","4.0008","0.0015","17.707","0.007","24.219","0.011","90","","90","","90","","1715.7","1.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br S -","- C22 H19 Br S -","- C88 H76 Br4 S4 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0389","0.0326","","","0.0674","0.069","","","","","","0.948","","","","has coordinates","241128","2020-10-21","18:00:00",""
"4130761","10.6685","0.001","31.183","0.003","15.5232","0.0017","90","","106.984","0.002","90","","4939","0.9","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 S3 -","- C66 H54 S3 -","- C264 H216 S12 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0818","0.0588","","","0.1478","0.1843","","","","","","1.211","","","","has coordinates,has disorder","241129","2020-10-21","18:00:00",""
"4130762","19.9874","0.0005","27.2493","0.0006","37.9721","0.0009","90","","103.491","0.002","90","","20110.6","0.8","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C211 H228 S10 -","- C211 H228 S10 -","- C844 H912 S40 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71073","MoKα","","0.2783","0.1753","","","0.4409","0.4905","","","","","","1.552","","","","has coordinates,has disorder","241130","2020-10-21","18:00:00",""
"4130763","19.7473","0.001","5.675","0.0002","23.7866","0.0011","90","","103.491","0.005","90","","2592.1","0.2","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 S2 -","- C34 H32 S2 -","- C136 H128 S8 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71073","MoKα","","0.1026","0.0538","","","0.1305","0.1677","","","","","","1.035","","","","has coordinates","241131","2020-10-21","18:00:00",""
"4130764","14.669","0.0011","22.4404","0.0018","23.8287","0.0019","79.329","0.003","75.196","0.002","80.078","0.003","7387.6","1","120","2","120","","","","","","","","","8","P -1","-P 1","2","","","","- C119 H195 Cu Ge18 N P3 Pd3 Sn7 -","- C119 H195 Cu Ge18 N P3 Pd3 Sn7 -","- C238 H390 Cu2 Ge36 N2 P6 Pd6 Sn14 -","2","1","","Perla, Luis G.; Sevov, Slavi C.","A Stannyl-Decorated Zintl Ion [Ge18Pd3(Sn(i)Pr3)6](2-): Twinned Icosahedron with a Common Pd3-Face or 18-Vertex Hypho-Deltahedron with a Pd3-Triangle Inside.","Journal of the American Chemical Society","2016","138","31","9795","9798","10.1021/jacs.6b06545","","","0.71073","MoKα","","0.0632","0.0409","","","0.1027","0.1112","","","","","","1.001","","","","has coordinates,has disorder","241132","2020-10-21","18:00:00",""
"4130765","17.3152","0.0009","31.1602","0.0017","26.1732","0.0013","90","","96.851","0.002","90","","14020.8","1.3","120","2","120.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C96 H212 Ge18 K2 N4 O13 Pd3 Sn6 -","- C96 H207 Ge18 K2 N4 O13 Pd3 Sn6 -","- C384 H828 Ge72 K8 N16 O52 Pd12 Sn24 -","4","1","","Perla, Luis G.; Sevov, Slavi C.","A Stannyl-Decorated Zintl Ion [Ge18Pd3(Sn(i)Pr3)6](2-): Twinned Icosahedron with a Common Pd3-Face or 18-Vertex Hypho-Deltahedron with a Pd3-Triangle Inside.","Journal of the American Chemical Society","2016","138","31","9795","9798","10.1021/jacs.6b06545","","","0.71073","MoKα","","0.0725","0.0421","","","0.0978","0.1172","","","","","","1.035","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4130766","6.3424","0.0005","16.9401","0.0014","9.9234","0.0008","90","","103.876","0.0012","90","","1035.06","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","2","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0358","0.0318","","","0.0773","0.0809","","","","","","1.05","","","","has coordinates","241134","2020-10-21","18:00:00",""
"4130767","8.5261","0.001","9.7486","0.0011","11.1669","0.0013","90","","107.702","0.0019","90","","884.22","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0324","0.0316","","","0.0853","0.086","","","","","","1.051","","","","has coordinates","241135","2020-10-21","18:00:00",""
"4130768","17.152","0.008","5.834","0.003","13.48","0.006","90","","90","","90","","1348.9","1.1","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0889","0.0595","","","0.1343","0.1489","","","","","","1.016","","","","has coordinates","241136","2020-10-21","18:00:00",""
"4130769","8.682","0.002","10.303","0.003","15.433","0.004","90","","101.054","0.004","90","","1354.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H48 O4 Si -","- C28 H48 O4 Si -","- C56 H96 O8 Si2 -","2","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0664","0.0559","","","0.1423","0.1471","","","","","","1.129","","","","has coordinates","241137","2020-10-21","18:00:00",""
"4130770","5.9569","0.0003","10.5931","0.0005","15.0785","0.0007","90","","91.0247","0.0006","90","","951.33","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji","Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols.","Journal of the American Chemical Society","2016","138","33","10693","10699","10.1021/jacs.6b06573","","","0.71073","MoKα","","0.0369","0.035","","","0.0907","0.0927","","","","","","1.07","","","","has coordinates","241138","2020-10-21","18:00:00",""
"4130771","18.1209","0.0019","6.9681","0.0007","17.8943","0.0018","90","","102.802","0.003","90","","2203.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br O4 -","- C25 H27 Br O4 -","- C100 H108 Br4 O16 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0797","0.0458","","","0.0904","0.1017","","","","","","1.094","","","","has coordinates","241139","2020-10-21","18:00:00",""
"4130772","8.6715","0.0003","10.3828","0.0004","9.4244","0.0004","90","","100.887","0.002","90","","833.25","0.06","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C38 H56 O6 -","2","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0319","0.0299","","","0.0727","0.0739","","","","","","1.068","","","","has coordinates","241140","2020-10-21","18:00:00",""
"4130773","17.606","0.0005","10.2852","0.0003","19.9102","0.0006","90","","116.176","0.001","90","","3235.61","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","RR12-250-major","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","1.54178","CuKα","","0.0634","0.0589","","","0.1634","0.1687","","","","","","1.007","","","","has coordinates","241141","2020-10-21","18:00:00",""
"4130774","15.2396","0.0007","15.2396","0.0007","6.5378","0.0004","90","","90","","120","","1314.95","0.12","100","2","100","","","","","","","","","3","P 31","P 31","144","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C57 H66 O15 -","3","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0496","0.0387","","","0.0816","0.0853","","","","","","1.034","","","","has coordinates","241142","2020-10-21","18:00:00",""
"4130775","10.0283","0.0014","6.7122","0.0009","14.1747","0.0019","90","","101.993","0.006","90","","933.3","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C38 H52 O6 Si2 -","2","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","1.54178","CuKα","","0.0286","0.028","","","0.073","0.0746","","","","","","1.043","","","","has coordinates","241143","2020-10-21","18:00:00",""
"4130776","11.1643","0.0006","11.8846","0.0006","12.7007","0.0007","75.011","0.003","76.716","0.003","89.935","0.003","1581.23","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","RR12-lactone","","","- C319 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","2","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","1.54178","CuKα","","0.1055","0.0887","","","0.2421","0.2606","","","","","","1.06","","","","has coordinates","241144","2020-10-21","18:00:00",""
"4130777","9.13","0.0017","7.6658","0.0014","21.832","0.005","90","","95.398","0.007","90","","1521.2","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","x-ray","0.71073","MoKα","","0.0693","0.051","","","0.1171","0.1294","","","","","","1.079","","","","has coordinates","241146","2020-10-21","18:00:00",""
"4130778","13.798","0.001","7.124","0.0006","16.8297","0.0013","90","","94.256","0.005","90","","1649.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","1.54178","CuKα","","0.0524","0.042","","","0.1074","0.1153","","","","","","1.03","","","","has coordinates","241147","2020-10-21","18:00:00",""
"4130779","10.3974","0.0008","12.7181","0.0009","13.2489","0.001","90","","112.175","0.002","90","","1622.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0541","0.0377","","","0.0896","0.0973","","","","","","1.015","","","","has coordinates","241148","2020-10-21","18:00:00",""
"4130780","21.5194","0.001","10.6148","0.0004","12.7272","0.0006","90","","102.271","0.002","90","","2840.8","0.2","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","RR12-043","","","- C17 H22 O2 -","- C17 H22 O2 -","- C136 H176 O16 -","8","2","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.046","0.0381","","","0.1002","0.1066","","","","","","1.028","","","","has coordinates","241149","2020-10-21","18:00:00",""
"4130781","9.8414","0.001","24.468","0.003","7.9373","0.0009","90","","108.333","0.004","90","","1814.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RR12-264-minor","","","- C19 H25 I O5 -","- C19 H25 I O5 -","- C76 H100 I4 O20 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0444","0.0328","","","0.0678","0.0719","","","","","","1.038","","","","has coordinates","241150","2020-10-21","18:00:00",""
"4130782","10.931","0.0015","9.641","0.0013","13.213","0.002","90","","92.018","0.005","90","","1391.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0803","0.0507","","","0.1045","0.1187","","","","","","1.013","","","","has coordinates","241151","2020-10-21","18:00:00",""
"4130783","14.6942","0.0018","9.3324","0.0009","11.6047","0.0014","90","","90","","90","","1591.4","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.","11-Step Total Synthesis of (-)-Maoecrystal V.","Journal of the American Chemical Society","2016","138","30","9425","9428","10.1021/jacs.6b06623","","","0.71073","MoKα","","0.0592","0.0412","","","0.0854","0.0935","","","","","","1.003","","","","has coordinates","241152","2020-10-21","18:00:00",""
"4130784","22.5576","0.0004","25.9536","0.0004","26.6117","0.0004","102.011","0.001","93.562","0.001","100.843","0.001","14883.3","0.4","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C254 H205 F48 Fe4 N31 O2 Sb8 -","- C254 H205 F38.508 Fe4 N31 O2 Sb6.418 -","- C508 H410 F77.016 Fe8 N62 O4 Sb12.836 -","2","1","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1244","0.0973","","","0.306","0.3355","","","","","","1.368","","","","has coordinates,has disorder","241153","2020-10-21","18:00:00",""
"4130785","21.8874","0.0008","27.4261","0.0009","30.8088","0.0009","64.666","0.002","87.269","0.002","79.937","0.002","16450.7","1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C313 H183 F48 Fe4 N26 Sb8 -","- C313 H183 F23.1 Fe4 N26 Sb3.85 -","- C626 H366 F46.2 Fe8 N52 Sb7.7 -","2","1","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1308","0.109","","","0.3123","0.3387","","","","","","1.045","","","","has coordinates,has disorder","241154","2020-10-21","18:00:00",""
"4130786","26.1142","0.0013","26.1142","0.0013","110.422","0.006","90","","90","","120","","65214","6","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C330 H165 Cl8 Fe4 N51 O32 -","- C329.994 H165 Cl5.7 Fe4 N51 O22.8 -","- C1979.96 H990 Cl34.2 Fe24 N306 O136.8 -","6","0.333333","","Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R.","Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron.","Journal of the American Chemical Society","2016","138","33","10417","10420","10.1021/jacs.6b06710","","","1.54178","CuKα","","0.1701","0.1274","","","0.3501","0.3749","","","","","","1.227","","","","has coordinates,has disorder","241155","2020-10-21","18:00:00",""
"4130787","19.251","0.003","16.018","0.002","21.996","0.003","90","","92.636","0.002","90","","6775.6","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H90 Cl2 Fe N4 O3 Si2 -","- C71 H90.001 Cl2.001 Fe N4 O3 Si2.001 -","- C284 H360.004 Cl8.004 Fe4 N16 O12 Si8.004 -","4","1","","Hickox, Hunter P.; Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Push-Pull Stabilization of Parent Monochlorosilylenes.","Journal of the American Chemical Society","2016","138","31","9799","9802","10.1021/jacs.6b06726","","","0.71073","MoKα","","0.101","0.0701","","","0.1892","0.2162","","","","","","1.042","","","","has coordinates,has disorder","241156","2020-10-21","18:00:00",""
"4130788","41.512","0.004","41.512","0.004","41.512","0.004","90","","90","","90","","71535","12","100","2","100.2","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- C1.17 H0.53 O0.24 Zr0.05 -","- C1.17343 H0.531365 O0.243542 Zr0.0479705 -","- C1272 H576 O264 Zr52 -","1084","22.5833","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.","Journal of the American Chemical Society","2016","138","37","12234","12242","10.1021/jacs.6b06759","","","0.41328","synchrotronradiation","","0.2586","0.1276","","","0.3136","0.3628","","","","","","1.122","","","","has coordinates","241157","2020-10-21","18:00:00",""
"4130789","41.616","0.004","41.616","0.004","41.616","0.004","90","","90","","90","","72074","12","100","2","100","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- C2.17 O0.45 Zr0.09 -","- C2.16695 O0.449744 Zr0.088586 -","- C1272 O264 Zr52 -","587","12.2292","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.","Journal of the American Chemical Society","2016","138","37","12234","12242","10.1021/jacs.6b06759","","","0.41328","synchrotronradiation","","0.1392","0.131","","","0.3539","0.3599","","","","","","1.159","","","","has coordinates","241158","2020-10-21","18:00:00",""
"4130790","41.516","0.002","41.516","0.002","41.516","0.002","90","","90","","90","","71556","6","100","2","99.95","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- C1.25 Hf0.05 O0.26 -","- C1.25197 Hf0.0511811 O0.259843 -","- C1272 Hf52 O264 -","1016","21.1667","","Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin","Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles.","Journal of the American Chemical Society","2016","138","37","12234","12242","10.1021/jacs.6b06759","","","0.41328","synchrotronradiation","","0.154","0.1145","","","0.2758","0.3046","","","","","","1.244","","","","has coordinates","241159","2020-10-21","18:00:00",""
"4130791","12.2629","0.0006","7.4837","0.0003","15.1106","0.0007","90","","106.601","0.005","90","","1328.93","0.11","150","","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","ammonium strontium hexacyanoferrate(II) dihydrate","","- C6 H12 Fe N8 O2 Sr -","- C6 H12 Fe N8 O2 Sr -","- C24 H48 Fe4 N32 O8 Sr4 -","4","0.5","","Duyker, Samuel G.; Hill, Joshua A.; Howard, Christopher J.; Goodwin, Andrew L.","Guest-Activated Forbidden Tilts in a Molecular Perovskite Analogue.","Journal of the American Chemical Society","2016","138","35","11121","11123","10.1021/jacs.6b06785","","x-ray","1.54184","CuKα","","0.0228","0.0207","","0.0592","0.0576","0.0592","","","","","","1.0021","","","","has coordinates","241160","2020-10-21","18:00:00",""
"4130792","7.4087","0.0004","7.5926","0.0004","10.7605","0.0006","90","","90.336","0.005","90","","605.28","0.06","300","","300.01","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ammonium strontium hexacyanoferrate(II)","","- C6 H8 Fe N8 Sr -","- C6 H8 Fe N8 Sr -","- C12 H16 Fe2 N16 Sr2 -","2","0.5","","Duyker, Samuel G.; Hill, Joshua A.; Howard, Christopher J.; Goodwin, Andrew L.","Guest-Activated Forbidden Tilts in a Molecular Perovskite Analogue.","Journal of the American Chemical Society","2016","138","35","11121","11123","10.1021/jacs.6b06785","","x-ray","1.54184","CuKα","","0.0575","0.0374","","0.1154","0.0989","0.1154","","","","","","1.0151","","","","has coordinates","241160","2020-10-21","18:00:00",""
"4130793","14.251","0.0007","13.1814","0.0005","9.2333","0.0004","90","","98.28","0.003","90","","1716.38","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 Ni -","- C18 H26 N4 Ni -","- C72 H104 N16 Ni4 -","4","0.5","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0358","0.0263","","","0.0544","0.0591","","","","","","1.016","","","","has coordinates,has disorder","241161","2020-10-21","18:00:00",""
"4130794","8.96","0.0007","14.2611","0.001","16.7826","0.0012","88.779","0.004","75.985","0.004","73.867","0.004","1996.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 B N4 Ni O -","- C46 H54 B N4 Ni O -","- C92 H108 B2 N8 Ni2 O2 -","2","1","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0518","0.0389","","","0.0904","0.0966","","","","","","1.031","","","","has coordinates,has disorder","241161","2020-10-21","18:00:00",""
"4130795","11.5021","0.0009","17.8327","0.0013","12.9451","0.0011","90","","90.026","0.005","90","","2655.2","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C30 H40 N4 Ni O -","- C30 H40 N4 Ni O -","- C120 H160 N16 Ni4 O4 -","4","2","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0587","0.0508","","","0.1253","0.1316","","","","","","1.041","","","","has coordinates","241161","2020-10-21","18:00:00",""
"4130796","18.0244","0.0006","12.6029","0.0004","23.9084","0.0008","90","","98.41","0.0016","90","","5372.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 B N4 Ni O3 -","- C62 H76 B N4 Ni O3 -","- C248 H304 B4 N16 Ni4 O12 -","4","1","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.097","0.0613","","","0.1446","0.166","","","","","","1.031","","","","has coordinates,has disorder","241161","2020-10-21","18:00:00",""
"4130797","9.2668","0.0005","16.5937","0.001","18.2485","0.0011","90","","92.739","0.003","90","","2802.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 F12 N6 Ni P2 -","- C20 H26 F12 N6 Ni P2 -","- C80 H104 F48 N24 Ni4 P8 -","4","1","","Schultz, Jason W.; Fuchigami, Kei; Zheng, Bo; Rath, Nigam P.; Mirica, Liviu M.","Isolated Organometallic Nickel(III) and Nickel(IV) Complexes Relevant to Carbon-Carbon Bond Formation Reactions.","Journal of the American Chemical Society","2016","138","39","12928","12934","10.1021/jacs.6b06862","","","0.71073","MoKα","","0.0919","0.0663","","","0.1834","0.2007","","","","","","1.03","","","","has coordinates","241161","2020-10-21","18:00:00",""
"4130798","5.945","0.0008","7.244","0.0011","40.577","0.007","90","","91.345","0.014","90","","1747","0.5","93","","93","","","","","","","","","2","P 1 c 1","P -2yc","7","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","2","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.129","0.0678","","","0.1212","0.1421","","","","","","0.985","","","","has coordinates","241162","2020-10-21","18:00:00",""
"4130799","6.0461","0.0003","7.3963","0.0004","20.9073","0.0011","81.327","0.005","89.655","0.004","88.536","0.004","923.95","0.08","93","","93","","","","","","","","","2","P 1","P 1","1","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","2","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.1131","0.0609","","","0.1277","0.152","","","","","","1.004","","","","has coordinates","241163","2020-10-21","18:00:00",""
"4130800","5.917","0.004","7.782","0.004","20.718","0.012","81.545","0.015","87.448","0.016","89.023","0.018","942.6","1","93","","93","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi","Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.","Journal of the American Chemical Society","2016","138","35","11335","11343","10.1021/jacs.6b06877","","","0.71073","MoKα","","0.1002","0.0614","","","0.1437","0.1664","","","","","","1.041","","","","has coordinates,has disorder","241165","2020-10-21","18:00:00",""
"4130801","6.1119","0.0003","10.41","0.0011","13.6296","0.0015","76.812","0.009","81.978","0.007","82.825","0.007","832.15","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C36 H36 O6 S2 -","2","1","","Li, Yuanyuan; Qiu, Dachuan; Gu, Rongrong; Wang, Junli; Shi, Jiarong; Li, Yang","Aryne 1,2,3-Trifunctionalization with Aryl Allyl Sulfoxides.","Journal of the American Chemical Society","2016","138","34","10814","10817","10.1021/jacs.6b06981","","","0.71073","MoKα","","0.0817","0.0554","","","0.1335","0.1576","","","","","","1.048","","","","has coordinates","241166","2020-10-21","18:00:00",""
"4130802","8.5059","0.0003","10.5556","0.0003","11.4816","0.0004","90","","93.9911","0.0016","90","","1028.37","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H27 Au I P -","- C19 H27 Au I P -","- C38 H54 Au2 I2 P2 -","2","1","","Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","β-Hydride Elimination at Low-Coordinate Gold(III) Centers.","Journal of the American Chemical Society","2016","138","36","11920","11929","10.1021/jacs.6b07035","","","0.71073","MoKα","","0.052","0.0436","","","0.109","0.1165","","","","","","1.092","","","","has coordinates","241167","2020-10-21","18:00:00",""
"4130803","8.2625","0.0005","13.7282","0.0008","32.2865","0.0019","90","","90","","90","","3662.2","0.4","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Au I P -","- C17 H23 Au I P -","- C136 H184 Au8 I8 P8 -","8","1","","Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","β-Hydride Elimination at Low-Coordinate Gold(III) Centers.","Journal of the American Chemical Society","2016","138","36","11920","11929","10.1021/jacs.6b07035","","x-ray","0.71073","MoKα","","0.0519","0.0477","","","0.2184","0.2209","","","","","","1.901","","","","has coordinates","241168","2020-10-21","18:00:00",""
"4130804","17.6684","0.0006","50.2977","0.0016","7.4226","0.0003","90","","90","","90","","6596.3","0.4","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C304 H352 N32 O16 -","16","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","0.71073","MoKα","","0.0473","0.0402","","","0.092","0.0962","","","","","","1.046","","","","has coordinates,has disorder","241169","2020-10-21","18:00:00",""
"4130805","9.614","0.002","10.268","0.002","10.553","0.002","67.181","0.004","83.169","0.004","84.093","0.004","951.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","1.54178","CuKα","","0.0524","0.0521","","","0.1565","0.157","","","","","","1.116","","","","has coordinates","241170","2020-10-21","18:00:00",""
"4130806","16.4142","0.0005","10.5216","0.0003","19.1349","0.0006","90","","101.713","0.0016","90","","3235.85","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C144 H144 N16 O16 S8 -","8","1","","McCreanor, Niall G.; Stanton, Steven; Bower, John F.","Capture-Collapse Heterocyclization: 1,3-Diazepanes by C-N Reductive Elimination from Rhodacyclopentanones.","Journal of the American Chemical Society","2016","138","36","11465","11468","10.1021/jacs.6b07046","","","0.71073","MoKα","","0.0403","0.0337","","","0.0843","0.0881","","","","","","1.035","","","","has coordinates","241171","2020-10-21","18:00:00",""
"4130807","12.2774","0.0005","18.0919","0.0007","16.3936","0.0007","90","","94.5253","0.0017","90","","3630","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","C41 H42 Cl Co N4 P","","- C41 H42.18 Cl1.12 Co N4 P -","- C41 H42.18 Cl1.123 Co N4 P -","- C164 H168.72 Cl4.492 Co4 N16 P4 -","4","1","","Tokmic, Kenan; Markus, Charles R.; Zhu, Lingyang; Fout, Alison R.","Well-Defined Cobalt(I) Dihydrogen Catalyst: Experimental Evidence for a Co(I)/Co(III) Redox Process in Olefin Hydrogenation.","Journal of the American Chemical Society","2016","138","36","11907","11913","10.1021/jacs.6b07066","","","0.71073","MoKα","","0.072","0.0443","","","0.0915","0.1006","","","","","","1.016","","","","has coordinates,has disorder","241172","2020-10-21","18:00:00",""
"4130808","7.8946","0.0003","16.5851","0.0005","27.3473","0.001","90","","94.4478","0.0012","90","","3569.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 Co N6 P -","- C41 H42 Co N6 P -","- C164 H168 Co4 N24 P4 -","4","1","","Tokmic, Kenan; Markus, Charles R.; Zhu, Lingyang; Fout, Alison R.","Well-Defined Cobalt(I) Dihydrogen Catalyst: Experimental Evidence for a Co(I)/Co(III) Redox Process in Olefin Hydrogenation.","Journal of the American Chemical Society","2016","138","36","11907","11913","10.1021/jacs.6b07066","","","0.71073","MoKα","","0.0503","0.0386","","","0.087","0.0919","","","","","","1.098","","","","has coordinates","241172","2020-10-21","18:00:00",""
"4130809","6.782","0.0008","16.6525","0.0019","12.2196","0.0014","90","","100.039","0.004","90","","1358.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H19 B10 N O -","- C6 H19 B10 N O -","- C24 H76 B40 N4 O4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.1706","0.094","","","0.1897","0.223","","","","","","1.071","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130810","29.8616","0.0006","6.6361","0.0001","20.4917","0.0004","90","","99.0968","0.0017","90","","4009.66","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 B10 N2 O2 -","- C12 H30 B10 N2 O2 -","- C96 H240 B80 N16 O16 -","8","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.0669","0.0524","","","0.1481","0.1587","","","","","","1.054","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130811","8.0349","0.0017","18.023","0.004","12.072","0.003","90","","96.799","0.008","90","","1735.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 B10 N O2 -","- C10 H24 B10 N O2 -","- C40 H96 B40 N4 O8 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.1492","0.0935","","","0.2646","0.3276","","","","","","1.033","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130812","24.2592","0.0012","7.3926","0.0003","19.8972","0.001","90","","98.5493","0.0016","90","","3528.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H21 B10 N O2 S -","- C10 H21 B10 N O2 S -","- C80 H168 B80 N8 O16 S8 -","8","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.066","0.0539","","","0.1435","0.1544","","","","","","1.031","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130813","25.0743","0.0011","7.4905","0.0003","19.9945","0.0009","90","","101.104","0.0013","90","","3685","0.3","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H21 B10 N O3 S -","- C10 H21 B10 N O3 S -","- C80 H168 B80 N8 O24 S8 -","8","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.","Journal of the American Chemical Society","2016","138","39","12727","12730","10.1021/jacs.6b07086","","","0.71073","MoKα","","0.1048","0.0922","","","0.2578","0.2747","","","","","","1.058","","","","has coordinates","241173","2020-10-21","18:00:00",""
"4130814","14.713","0.0016","11.1639","0.0012","16.1379","0.0019","90","","103.704","0.002","90","","2575.3","0.5","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C120 H96 Cl8 O16 -","2","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0702","0.0519","","","0.1105","0.1199","","","","","","1.028","","","","has coordinates","241174","2020-10-21","18:00:00",""
"4130815","14.7006","0.0013","11.1469","0.0009","16.1292","0.0014","90","","103.773","0.002","90","","2567","0.4","113","","113","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C120 H96 Cl8 O16 -","2","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0277","0.0265","","","0.0714","0.072","","","","","","1.055","","","","has coordinates,has disorder","241175","2020-10-21","18:00:00",""
"4130816","29.664","0.006","11.951","0.002","26.712","0.005","90","","105.51","0.03","90","","9125","3","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H34 Cl2 O8 -","- C47 H34 Cl2 O8 -","- C376 H272 Cl16 O64 -","8","1","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0618","0.0519","","","0.1594","0.1672","","","","","","1.107","","","","has coordinates","241176","2020-10-21","18:00:00",""
"4130817","43.667","0.003","14.9611","0.0006","31.555","0.002","90","","133.563","0.012","90","","14938","3","113","","113","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 Cl4 O8 -","- C60 H48 Cl4 O8 -","- C720 H576 Cl48 O96 -","12","1.5","","Xiong, Jia-Bin; Feng, Hai-Tao; Sun, Jian-Ping; Xie, Wen-Zhao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","The Fixed Propeller-Like Conformation of Tetraphenylethylene that Reveals Aggregation-Induced Emission Effect, Chiral Recognition, and Enhanced Chiroptical Property.","Journal of the American Chemical Society","2016","138","36","11469","11472","10.1021/jacs.6b07087","","","0.71073","MoKα","","0.0577","0.0452","","","0.1113","0.1197","","","","","","1.02","","","","has coordinates,has disorder","241177","2020-10-21","18:00:00",""
"4130818","9.4658","0.0004","11.3757","0.0004","19.3517","0.0007","90","","90","","90","","2083.79","0.14","100.15","","100.15","","","","","","","","","6","P 21 n b","P -2bc 2a","33","","C22H23ClNO2S2","","- C22 H23 Cl N O2 S2 -","- C22 H23 Cl N O2 S2 -","- C88 H92 Cl4 N4 O8 S8 -","4","1","","Kennemur, Jennifer L.; Kortman, Gregory D.; Hull, Kami L.","Rhodium-Catalyzed Regiodivergent Hydrothiolation of Allyl Amines and Imines.","Journal of the American Chemical Society","2016","138","36","11914","11919","10.1021/jacs.6b07142","","x-ray","0.71073","MoKα","","0.0588","0.0463","","","0.1159","0.121","","","","","","1.017","","","","has coordinates","241178","2020-10-21","18:00:00",""
"4130819","10.587","0.005","5.476","0.003","15.006","0.008","90","","98.981","0.007","90","","859.3","0.8","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N4 O2 -","- C17 H16 Br N4 O2 -","- C34 H32 Br2 N8 O4 -","2","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.0318","0.0265","","","0.0448","0.0459","","","","","","1.118","","","","has coordinates","241179","2020-10-21","18:00:00",""
"4130820","6.7967","0.0014","15.8","0.004","23.896","0.005","90","","90","","90","","2566.1","1","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br F3 N4 O4 -","- C26 H22 Br F3 N4 O4 -","- C104 H88 Br4 F12 N16 O16 -","4","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.1145","0.0929","","","0.147","0.1556","","","","","","1.21","","","","has coordinates","241180","2020-10-21","18:00:00",""
"4130821","9.777","0.0018","14.488","0.003","38.079","0.007","90","","90","","90","","5393.9","1.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H63 O8 P Si -","- C65 H63 O8 P Si -","- C260 H252 O32 P4 Si4 -","4","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.0734","0.0584","","","0.1092","0.1171","","","","","","1.007","","","","has coordinates,has disorder","241181","2020-10-21","18:00:00",""
"4130822","19.097","0.001","24.0131","0.0013","29.8101","0.0015","88.62","0.002","89.464","0.002","71.411","0.002","12953.3","1.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C208 H234 Au44 S26 -","- C205 H215 Au44 S26 -","- C410 H430 Au88 S52 -","2","1","","Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Yan, Nan; Chen, Jishi; Wang, Chengming; Xia, Nan; Liu, Xu; Li, Man-Bo; Li, Lingling; Bao, Xiaoli; Wu, Zhikun","Structure of Chiral Au44(2,4-DMBT)26 Nanocluster with an 18-Electron Shell Closure.","Journal of the American Chemical Society","2016","138","33","10425","10428","10.1021/jacs.6b07178","","","1.54178","CuKα","","0.1666","0.1398","","","0.365","0.4009","","","","","","1.644","","","","has coordinates","241182","2020-10-21","18:00:00",""
"4130823","14.135","0.006","12.502","0.006","9.632","0.004","90","","100.507","0.006","90","","1673.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F7 N O2 -","- C14 H18 F7 N O2 -","- C56 H72 F28 N4 O8 -","4","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0994","0.0614","","","0.1476","0.1748","","","","","","1.046","","","","has coordinates","241183","2020-10-21","18:00:00",""
"4130824","13.3576","0.0015","13.3576","0.0015","16.362","0.002","90","","90","","90","","2919.4","0.6","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H10 F7 N O2 -","- C12.9999 H10 F6.9997 N O2 -","- C103.999 H80 F55.9976 N8 O16 -","8","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","1.54178","CuKα","","0.0333","0.0326","","","0.0882","0.0889","","","","","","1.022","","","","has coordinates,has disorder","241184","2020-10-21","18:00:00",""
"4130825","16.8624","0.0011","18.8653","0.0013","22.9188","0.0016","90","","90","","90","","7290.8","0.9","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H41 B2 F8 Fe N7 O4 -","- C32 H41 B2 F8 Fe N7 O4 -","- C256 H328 B16 F64 Fe8 N56 O32 -","8","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0535","0.0436","","","0.1174","0.1261","","","","","","1.02","","","","has coordinates","241185","2020-10-21","18:00:00",""
"4130826","8.4516","0.0009","13.5668","0.0015","11.368","0.0013","90","","97.205","0.0017","90","","1293.2","0.2","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H26 B2 F8 Fe N4 O4 -","- C17 H26 B2 F8 Fe N4 O4 -","- C34 H52 B4 F16 Fe2 N8 O8 -","2","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0463","0.0447","","","0.1195","0.1214","","","","","","1.043","","","","has coordinates,has disorder","241186","2020-10-21","18:00:00",""
"4130827","18.608","0.004","10.59","0.002","20.591","0.005","90","","98.67","0.003","90","","4011.3","1.5","173.15","","173.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H28 B2 F20 N2 O3 S2 -","- C36 H28 B2 F20 N2 O3 S2 -","- C144 H112 B8 F80 N8 O12 S8 -","4","1","","Li, Songlei; Li, Gen; Meng, Wei; Du, Haifeng","A Frustrated Lewis Pair Catalyzed Asymmetric Transfer Hydrogenation of Imines Using Ammonia Borane.","Journal of the American Chemical Society","2016","138","39","12956","12962","10.1021/jacs.6b07245","","","0.71073","MoKα","","0.0436","0.0415","","","0.0991","0.1008","","","","","","1.069","","","","has coordinates,has disorder","241187","2020-10-21","18:00:00",""
"4130828","14.4739","0.0006","16.2599","0.0007","14.1217","0.0006","90","","110.575","0.002","90","","3111.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL-III-050B","sarpong84","","- C31 H38 N2 O11 S -","- C31 H38 N2 O11 S -","- C124 H152 N8 O44 S4 -","4","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0496","0.0427","","","0.1121","0.1179","","","","","","1.009","","","","has coordinates,has disorder","241188","2020-10-21","18:00:00",""
"4130829","9.5745","0.0006","17.2047","0.0012","12.0212","0.0008","90","","103.504","0.003","90","","1925.5","0.2","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","KK3-106-3","sarpong132","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","2","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.029","0.0286","","","0.0756","0.076","","","","","","1.048","","","","has coordinates","241189","2020-10-21","18:00:00",""
"4130830","23.9341","0.0008","11.7122","0.0004","16.9699","0.0005","90","","109.488","0.002","90","","4484.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KK2-075","sarpong121","","- C25 H35 N O6 -","- C25 H35 N O6 -","- C200 H280 N8 O48 -","8","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","0.71073","MoKα","","0.0655","0.0541","","","0.1426","0.1549","","","","","","1.036","","","","has coordinates","241190","2020-10-21","18:00:00",""
"4130831","6.7056","0.0005","19.1395","0.0013","14.5164","0.001","90","","98.255","0.004","90","","1843.8","0.2","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","KK3-129-4","sarpong133","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0757","0.071","","","0.167","0.1696","","","","","","1.161","","","","has coordinates","241191","2020-10-21","18:00:00",""
"4130832","6.7971","0.0003","17.5258","0.0008","8.2107","0.0003","90","","91.635","0.002","90","","977.7","0.07","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","KK2-168","sarpong124","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C46 H58 N2 O10 -","2","1","","Kou, Kevin G. M.; Li, Beryl X.; Lee, Jack C.; Gallego, Gary M.; Lebold, Terry P.; DiPasquale, Antonio G.; Sarpong, Richmond","Syntheses of Denudatine Diterpenoid Alkaloids: Cochlearenine, N-Ethyl-1α-hydroxy-17-veratroyldictyzine, and Paniculamine.","Journal of the American Chemical Society","2016","138","34","10830","10833","10.1021/jacs.6b07268","","","1.54178","CuKα","","0.0252","0.0251","","","0.0636","0.0636","","","","","","1.052","","","","has coordinates","241192","2020-10-21","18:00:00",""
"4130833","25.0036","0.0009","25.0036","0.0009","23.9683","0.0008","90","","90","","90","","14984.5","0.9","100","","100","","","","","","","","","6","I 4","I 4","79","","","","- C67.5 H55.5 Cl8.5 N5 O3.25 Rh -","- C67.5 H55.5 Cl8.5 N5 O3.25 Rh -","- C540 H444 Cl68 N40 O26 Rh8 -","8","1","","Nakamura, Munechika; Kishimoto, Kazuki; Kobori, Yasuhiro; Abe, Tomoka; Yoza, Kenji; Kobayashi, Kenji","Self-Assembled Molecular Gear: A 4:1 Complex of Rh(III)Cl Tetraarylporphyrin and Tetra(p-pyridyl)cavitand.","Journal of the American Chemical Society","2016","138","38","12564","12577","10.1021/jacs.6b07284","","","0.71073","MoKα","","0.1006","0.0837","","","0.23","0.2459","","","","","","1.065","","","","has coordinates,has disorder","241193","2020-10-21","18:00:00",""
"4130834","7.9066","0.0005","17.551","0.0013","22.4279","0.0018","90","","90","","90","","3112.3","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl3 Mg N3 O -","- C30 H44 Cl3 Mg N3 O -","- C120 H176 Cl12 Mg4 N12 O4 -","4","1","","Rosen, Tomer; Goldberg, Israel; Venditto, Vincenzo; Kol, Moshe","Tailor-Made Stereoblock Copolymers of Poly(lactic acid) by a Truly Living Polymerization Catalyst.","Journal of the American Chemical Society","2016","138","37","12041","12044","10.1021/jacs.6b07287","","","0.71073","MoKα","","0.0733","0.0634","","","0.1638","0.1718","","","","","","1.045","","","","has coordinates","241194","2020-10-21","18:00:00",""
"4130835","31.894","0.002","15.394","0.001","7.9405","0.0005","90","","90","","90","","3898.6","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H53 Cl Hf Si2 Sn -","- C40 H53 Cl Hf Si2 Sn -","- C160 H212 Cl4 Hf4 Si8 Sn4 -","4","0.5","","Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi","(η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.","Journal of the American Chemical Society","2016","138","35","11378","11382","10.1021/jacs.6b07304","","","0.71073","MoKα","","0.0483","0.0387","","","0.0779","0.0811","","","","","","1.099","","","","has coordinates","241195","2020-10-21","18:00:00",""
"4130836","8.0406","0.0004","15.0059","0.0007","33.2314","0.0016","90","","90","","90","","4009.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 Hf O Si2 Sn -","- C42 H58 Hf O Si2 Sn -","- C168 H232 Hf4 O4 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi","(η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.","Journal of the American Chemical Society","2016","138","35","11378","11382","10.1021/jacs.6b07304","","","0.71073","MoKα","","0.037","0.0331","","","0.0623","0.0637","","","","","","1.001","","","","has coordinates","241195","2020-10-21","18:00:00",""
"4130837","9.229","0.002","10.253","0.003","11.671","0.003","89.69","0.02","77.64","0.02","64.1","0.03","965.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 N2 Si2 -","- C40 H64 N2 Si2 -","- C40 H64 N2 Si2 -","1","0.5","","Mohapatra, Chandrajeet; Kundu, Subrata; Paesch, Alexander N.; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds.","Journal of the American Chemical Society","2016","138","33","10429","10432","10.1021/jacs.6b07361","","","0.71073","MoKα","","0.0557","0.0387","","","0.0775","0.0848","","","","","","1.03","","","","has coordinates","241196","2020-10-21","18:00:00",""
"4130838","6.3276","0.0011","15.14","0.003","14.425","0.003","90","","94.901","0.005","90","","1376.9","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O -","- C16 H23 N O -","- C64 H92 N4 O4 -","4","2","","Guo, Wusheng; Martínez-Rodríguez, Luis; Kuniyil, Rositha; Martin, Eddy; Escudero-Adán, Eduardo C; Maseras, Feliu; Kleij, Arjan W.","Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions.","Journal of the American Chemical Society","2016","138","36","11970","11978","10.1021/jacs.6b07382","","","0.71073","MoKα","","0.0436","0.041","","","0.1112","0.1135","","","","","","1.059","","","","has coordinates","241197","2020-10-21","18:00:00",""
"4130839","30.582","0.005","12.1062","0.0017","7.4499","0.0011","90","","97.785","0.003","90","","2732.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O -","- C17 H19 N O -","- C136 H152 N8 O8 -","8","1","","Guo, Wusheng; Martínez-Rodríguez, Luis; Kuniyil, Rositha; Martin, Eddy; Escudero-Adán, Eduardo C; Maseras, Feliu; Kleij, Arjan W.","Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions.","Journal of the American Chemical Society","2016","138","36","11970","11978","10.1021/jacs.6b07382","","","0.7107","MoKα","","0.0438","0.0392","","","0.1048","0.108","","","","","","1.033","","","","has coordinates","241198","2020-10-21","18:00:00",""
"4130840","21.4117","0.0005","21.3974","0.0004","25.7847","0.0007","90","","114.123","0.003","90","","10781.7","0.5","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H75 N6 P3 Si3 -","- C47.5 H75 N6 P3 Si3 -","- C380 H600 N48 P24 Si24 -","8","2","","Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred","Pnictogen-Silicon Analogues of Benzene.","Journal of the American Chemical Society","2016","138","33","10433","10436","10.1021/jacs.6b07389","","x-ray","1.54178","CuKα","","0.0726","0.0624","","","0.1806","0.1941","","","","","","1.082","","","","has coordinates,has disorder","241199","2020-10-21","18:00:00",""
"4130841","21.5579","0.0005","21.7446","0.0007","46.7236","0.0015","90","","90","","90","","21902.5","1.1","123","2","123","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C48.5 H73 As3 N6 Si3 -","- C48 H72.75 As3 N6 Si3 -","- C768 H1164 As48 N96 Si48 -","16","0.5","","Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred","Pnictogen-Silicon Analogues of Benzene.","Journal of the American Chemical Society","2016","138","33","10433","10436","10.1021/jacs.6b07389","","","1.54178","CuKα","","0.0583","0.0402","","","0.0977","0.1023","","","","","","1.002","","","","has coordinates,has disorder","241200","2020-10-21","18:00:00",""
"4130842","9.29","0.0006","9.9536","0.0006","12.5142","0.0008","69.954","0.006","77.338","0.005","86.516","0.005","1060.5","0.12","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 As2 D12 N4 Si2 -","- C42 H46 As2 D12 N4 Si2 -","- C42 H46 As2 D12 N4 Si2 -","1","0.5","","Seitz, Andreas E.; Eckhardt, Maria; Erlebach, Andreas; Peresypkina, Eugenia V.; Sierka, Marek; Scheer, Manfred","Pnictogen-Silicon Analogues of Benzene.","Journal of the American Chemical Society","2016","138","33","10433","10436","10.1021/jacs.6b07389","","x-ray","1.54184","CuKα","","0.0307","0.0275","","","0.0765","0.0791","","","","","","1.143","","","","has coordinates","241201","2020-10-21","18:00:00",""
"4130843","5.0374","0.0006","5.3641","0.0007","7.0068","0.0009","72.004","0.002","76.098","0.002","87.219","0.002","174.73","0.04","290","2","290.01","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C8 H6 O4 -","1","0.5","","Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče","Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals.","Journal of the American Chemical Society","2016","138","40","13298","13306","10.1021/jacs.6b07406","","","0.71073","MoKα","","0.0388","0.0354","","","0.11","0.1148","","","","","","1.044","","","","has coordinates","241202","2020-10-21","18:00:00",""
"4130844","3.7793","0.0006","6.4791","0.001","7.404","0.0011","82.942","0.002","81.006","0.002","88.982","0.002","177.71","0.05","390","2","389.99","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C8 H6 O4 -","1","0.5","","Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče","Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals.","Journal of the American Chemical Society","2016","138","40","13298","13306","10.1021/jacs.6b07406","","","0.71073","MoKα","","0.043","0.0395","","","0.1142","0.1174","","","","","","1.147","","","","has coordinates","241203","2020-10-21","18:00:00",""
"4130845","5.0384","0.0005","5.3623","0.0005","7.006","0.0007","71.993","0.001","76.093","0.001","87.198","0.001","174.67","0.03","290","2","290","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C8 H6 O4 -","1","0.5","","Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče","Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals.","Journal of the American Chemical Society","2016","138","40","13298","13306","10.1021/jacs.6b07406","","","0.71073","MoKα","","0.0363","0.0337","","","0.1062","0.1104","","","","","","1.044","","","","has coordinates","241204","2020-10-21","18:00:00",""
"4130846","15.0088","0.0004","10.2881","0.0003","16.7851","0.0012","90","","105.568","0.008","90","","2496.7","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36.5 H21 Cl O -","- C36.5 H21 Cl O -","- C146 H84 Cl4 O4 -","4","2","","Sako, Makoto; Takeuchi, Yoshiki; Tsujihara, Tetsuya; Kodera, Junpei; Kawano, Tomikazu; Takizawa, Shinobu; Sasai, Hiroaki","Efficient Enantioselective Synthesis of Oxahelicenes Using Redox/Acid Cooperative Catalysts.","Journal of the American Chemical Society","2016","138","36","11481","11484","10.1021/jacs.6b07424","","","1.54187","CuKα","","","0.0554","","","","0.1567","","","","","","1.008","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4130847","7.417","0.0004","10.589","0.0006","25.5745","0.0016","90","","93.439","0.005","90","","2005","0.2","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O6 -","- C24 H17 N O6 -","- C96 H68 N4 O24 -","4","1","","Liu, Chong; Zeng, Chenjie; Luo, Tian-Yi; Merg, Andrea D.; Jin, Rongchao; Rosi, Nathaniel L.","Establishing Porosity Gradients within Metal-Organic Frameworks Using Partial Postsynthetic Ligand Exchange.","Journal of the American Chemical Society","2016","138","37","12045","12048","10.1021/jacs.6b07445","","","1.54178","CuKα","","0.1296","0.094","","","0.2302","0.2448","","","","","","1.538","","","","has coordinates","241206","2020-10-21","18:00:00",""
"4130848","3.9365","0.0008","12.261","0.002","15.859","0.003","111.241","0.013","91.027","0.015","91.753","0.015","712.8","0.2","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br N O4 -","- C16 H10 Br N O4 -","- C32 H20 Br2 N2 O8 -","2","1","","Liu, Chong; Zeng, Chenjie; Luo, Tian-Yi; Merg, Andrea D.; Jin, Rongchao; Rosi, Nathaniel L.","Establishing Porosity Gradients within Metal-Organic Frameworks Using Partial Postsynthetic Ligand Exchange.","Journal of the American Chemical Society","2016","138","37","12045","12048","10.1021/jacs.6b07445","","","1.54178","CuKα","","0.0817","0.0772","","","0.1923","0.1986","","","","","","1.054","","","","has coordinates","241207","2020-10-21","18:00:00",""
"4130849","22.7448","0.0019","6.433","0.0005","16.2309","0.0013","90","","105.714","0.005","90","","2286.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 B N2 -","- C13 H15 B N2 -","- C104 H120 B8 N16 -","8","1","","Gellrich, Urs; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Reversible Aromaticity Transfer in a Bora-Cycle: Boron-Ligand Cooperation.","Journal of the American Chemical Society","2016","138","40","13307","13313","10.1021/jacs.6b07454","","","0.71073","MoKα","","0.0929","0.051","","","0.1213","0.1409","","","","","","1.01","","","","has coordinates","241208","2020-10-21","18:00:00",""
"4130850","11.76794","0.00009","11.3623","0.00009","13.01027","0.00009","90","","104.026","0.0008","90","","1687.75","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B N2 O2 -","- C20 H19 B N2 O2 -","- C80 H76 B4 N8 O8 -","4","1","","Gellrich, Urs; Diskin-Posner, Yael; Shimon, Linda J. W.; Milstein, David","Reversible Aromaticity Transfer in a Bora-Cycle: Boron-Ligand Cooperation.","Journal of the American Chemical Society","2016","138","40","13307","13313","10.1021/jacs.6b07454","","","1.54184","CuKα","","0.043","0.0392","","","0.0993","0.1019","","","","","","1.077","","","","has coordinates","241208","2020-10-21","18:00:00",""
"4130851","8.4885","0.0005","22.9762","0.0015","15.9265","0.001","90","","99.651","0.002","90","","3062.2","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 Cu F5 N2 -","- C33 H30 Cu F5 N2 -","- C132 H120 Cu4 F20 N8 -","4","0.5","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.1072","0.0775","","","0.1956","0.2198","","","","","","1.051","","","","has coordinates","241209","2020-10-21","18:00:00",""
"4130852","6.9147","0.0002","7.9421","0.0003","13.3691","0.0004","97.113","0.002","101.828","0.002","99.78","0.002","698.52","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl N2 O3 -","- C14 H15 Cl N2 O3 -","- C28 H30 Cl2 N4 O6 -","2","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0334","0.0302","","","0.0873","0.0911","","","","","","0.915","","","","has coordinates","241210","2020-10-21","18:00:00",""
"4130853","10.0597","0.0006","10.189","0.0005","19.756","0.0011","90","0.002","95.22","0.002","90","0.002","2016.56","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C64 H96 N16 O16 S8 -","8","2","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0632","0.0477","","","0.1614","0.1733","","","","","","1.271","","","","has coordinates","241211","2020-10-21","18:00:00",""
"4130854","6.1687","0.0002","22.867","0.0008","8.7061","0.0003","90","","94.893","0.002","90","","1223.6","0.07","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C48 H56 N8 O8 S4 -","4","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0978","0.0668","","","0.1621","0.1746","","","","","","1.144","","","","has coordinates","241212","2020-10-21","18:00:00",""
"4130855","16.3196","0.0006","19.5049","0.0007","20.4967","0.0008","90","","90","","90","","6524.3","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H42 Br Cu N3 O0.5 S -","- C32 H42 Br Cu N3 O0.5 S -","- C256 H336 Br8 Cu8 N24 O4 S8 -","8","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.0507","0.0428","","","0.1093","0.1176","","","","","","1.026","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4130856","9.9952","0.0007","11.0255","0.0007","16.6818","0.0011","107.292","0.003","93.899","0.003","113.654","0.003","1570.52","0.19","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cu F4 N3 O2 -","- C32 H34 Cu F4 N3 O2 -","- C64 H68 Cu2 F8 N6 O4 -","2","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.057","0.0439","","","0.1131","0.1289","","","","","","1.111","","","","has coordinates","241214","2020-10-21","18:00:00",""
"4130857","13.3949","0.0008","5.0875","0.0003","19.3422","0.0012","90","","102.165","0.002","90","","1288.51","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O3 -","- C12 H13 F4 N O3 -","- C48 H52 F16 N4 O12 -","4","1","","Xie, Weilong; Yoon, Jung Hee; Chang, Sukbok","(NHC)Cu-Catalyzed Mild C-H Amidation of (Hetero)arenes with Deprotectable Carbamates: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2016","138","38","12605","12614","10.1021/jacs.6b07486","","","0.71073","MoKα","","0.1311","0.0601","","","0.108","0.129","","","","","","1.014","","","","has coordinates","241215","2020-10-21","18:00:00",""
"4130858","28.274","0.004","4.8094","0.0007","10.6249","0.0014","90","","107.141","0.009","90","","1380.6","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","Krishnan, Baiju P.; Rai, Rishika; Asokan, Aromal; Sureshan, Kana M.","Crystal-to-Crystal Synthesis of Triazole-Linked Pseudo-proteins via Topochemical Azide-Alkyne Cycloaddition Reaction.","Journal of the American Chemical Society","2016","138","45","14824","14827","10.1021/jacs.6b07538","","","0.71073","MoKα","","0.1144","0.0711","","","0.184","0.2138","","","","","","0.981","","","","has coordinates","241216","2020-10-21","18:00:00",""
"4130859","5.4275","0.0005","18.9357","0.0017","16.5145","0.0015","90","","91.1186","0.0012","90","","1696.9","0.3","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","2","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0306","0.028","","","0.0713","0.0725","","","","","","1.077","","","","has coordinates","241217","2020-10-21","18:00:00",""
"4130860","5.355","0.0003","8.9629","0.0005","28.7336","0.0016","90","","90","","90","","1379.11","0.13","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0288","0.0274","","","0.0697","0.0708","","","","","","1.054","","","","has coordinates","241218","2020-10-21","18:00:00",""
"4130861","5.7195","0.0004","14.2673","0.001","11.2806","0.0008","90","","90.5948","0.0009","90","","920.47","0.11","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C40 H44 O8 S2 -","2","1","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0271","0.0261","","","0.066","0.0668","","","","","","1.032","","","","has coordinates","241219","2020-10-21","18:00:00",""
"4130862","11.1579","0.0008","41.517","0.003","12.1931","0.0006","90","","104.766","0.006","90","","5461.8","0.6","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 N10 O11 Zn -","- C51 H56 N10 O11 Zn -","- C204 H224 N40 O44 Zn4 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54184","CuKα","","0.1388","0.1167","","","0.3261","0.3606","","","","","","1.582","","","","has coordinates","241220","2020-10-21","18:00:00",""
"4130863","11.2462","0.0002","41.9047","0.0008","12.0982","0.0009","90","","104.024","0.007","90","","5531.6","0.5","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 Mn N10 O11 -","- C51 H56 Mn N10 O11 -","- C204 H224 Mn4 N40 O44 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54178","CuKα","","0.1439","0.1234","","","0.3286","0.3542","","","","","","1.532","","","","has coordinates","241221","2020-10-21","18:00:00",""
"4130864","11.134","0.0007","41.701","0.002","12.1981","0.0005","90","","104.828","0.005","90","","5475","0.5","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 Fe N10 O11 -","- C51 H56 Fe N10 O11 -","- C204 H224 Fe4 N40 O44 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54184","CuKα","","0.1329","0.1171","","","0.3038","0.3253","","","","","","1.526","","","","has coordinates","241222","2020-10-21","18:00:00",""
"4130865","11.1373","0.0003","41.835","0.0012","12.177","0.0002","90","","104.831","0.002","90","","5484.6","0.2","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 N10 Ni O11 -","- C51 H56 N10 Ni O11 -","- C204 H224 N40 Ni4 O44 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54184","CuKα","","0.1046","0.0958","","","0.2699","0.2808","","","","","","1.026","","","","has coordinates","241223","2020-10-21","18:00:00",""
"4130866","10.3389","0.0002","7.9833","0.0001","28.328","0.002","90","","93.658","0.007","90","","2333.39","0.17","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N5 O5 -","- C25 H27 N5 O5 -","- C100 H108 N20 O20 -","4","1","","Sevov, Christo S.; Fisher, Sydney L.; Thompson, Levi T.; Sanford, Melanie S.","Mechanism-Based Development of a Low-Potential, Soluble, and Cyclable Multielectron Anolyte for Nonaqueous Redox Flow Batteries.","Journal of the American Chemical Society","2016","138","47","15378","15384","10.1021/jacs.6b07638","","","1.54178","CuKα","","0.0634","0.0577","","","0.1591","0.1643","","","","","","1.106","","","","has coordinates","241224","2020-10-21","18:00:00",""
"4130867","23.676","0.0007","19.0674","0.0006","19.8863","0.0006","90","","104.224","0.0018","90","","8702.2","0.5","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","15269a","","- C57 H44 O6 -","- C57 H44 O6 -","- C456 H352 O48 -","8","1","","Xu, Feng; Hershey, Kyle W.; Holmes, Russell J.; Hoye, Thomas R.","Blue-Emitting Arylalkynyl Naphthalene Derivatives via a Hexadehydro-Diels-Alder Cascade Reaction.","Journal of the American Chemical Society","2016","138","39","12739","12742","10.1021/jacs.6b07647","","","1.54178","CuKα","","0.0446","0.0388","","","0.1006","0.1068","","","","","","1.031","","","","has coordinates","241225","2020-10-21","18:00:00",""
"4130868","16.931","0.003","18.21","0.004","25.511","0.004","90","","90","","90","","7865","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cucurbituril+Nandrolone","","- C60 H68 N28 O34 -","- C60 H68 N28 O34 -","- C240 H272 N112 O136 -","4","1","","Lazar, Alexandra I.; Biedermann, Frank; Mustafina, Kamila R.; Assaf, Khaleel I.; Hennig, Andreas; Nau, Werner M.","Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications.","Journal of the American Chemical Society","2016","138","39","13022","13029","10.1021/jacs.6b07655","","","0.71073","MoKα","","0.1642","0.1091","","","0.2671","0.3273","","","","","","1.102","","","","has coordinates","241226","2020-10-21","18:00:00",""
"4130869","7.2433","0.0016","20.504","0.004","27.708","0.005","90","","90","","90","","4115.1","1.4","150.01","0.11","150.01","0.11","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C28 H14 B2 N2 O8 S2 -","- C28 H14 B2 N2 O8 S2 -","- C112 H56 B8 N8 O32 S8 -","4","2","","Carrillo, Josue Ayuso; Turner, Michael L.; Ingleson, Michael J.","A General Protocol for the Polycondensation of Thienyl N-Methyliminodiacetic Acid Boronate Esters To Form High Molecular Weight Copolymers.","Journal of the American Chemical Society","2016","138","40","13361","13368","10.1021/jacs.6b07666","","x-ray","0.71073","MoKα","","0.3032","0.139","","","0.3127","0.4249","","","","","","0.962","","","","has coordinates","241227","2020-10-21","18:00:00",""
"4130870","8.286","0.0002","10.6177","0.0004","28.689","0.0011","82.158","0.003","83.815","0.003","69.036","0.003","2330.15","0.15","150.02","0.13","150.02","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C44 H69 B2 N3 O8 S2 -","- C44 H69 B2 N3 O8 S2 -","- C88 H138 B4 N6 O16 S4 -","2","1","","Carrillo, Josue Ayuso; Turner, Michael L.; Ingleson, Michael J.","A General Protocol for the Polycondensation of Thienyl N-Methyliminodiacetic Acid Boronate Esters To Form High Molecular Weight Copolymers.","Journal of the American Chemical Society","2016","138","40","13361","13368","10.1021/jacs.6b07666","","","0.71073","MoKα","","0.0864","0.0565","","","0.1184","0.1355","","","","","","1.044","","","","has coordinates","241228","2020-10-21","18:00:00",""
"4130871","6.7782","0.0004","34.87","0.002","12.1646","0.0007","90","","100.344","0.002","90","","2828.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 B4 Cl4 O8 -","- C54 H68 B4 Cl4 O8 -","- C108 H136 B8 Cl8 O16 -","2","0.5","","Huang, Ze-Ao; Chen, Chen; Yang, Xiao-Di; Fan, Xiang-Bing; Zhou, Wen; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Synthesis of Oligoparaphenylene-Derived Nanohoops Employing an Anthracene Photodimerization-Cycloreversion Strategy.","Journal of the American Chemical Society","2016","138","35","11144","11147","10.1021/jacs.6b07673","","","0.71073","MoKα","","0.146","0.1106","","","0.269","0.3005","","","","","","1.124","","","","has coordinates,has disorder","241229","2020-10-21","18:00:00",""
"4130872","16.5652","0.0004","17.2511","0.0005","19.2794","0.0005","68.221","0.001","79.126","0.001","74.271","0.001","4900.6","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C100 H64 -","- C100 H64 -","- C200 H128 -","2","1","","Huang, Ze-Ao; Chen, Chen; Yang, Xiao-Di; Fan, Xiang-Bing; Zhou, Wen; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Synthesis of Oligoparaphenylene-Derived Nanohoops Employing an Anthracene Photodimerization-Cycloreversion Strategy.","Journal of the American Chemical Society","2016","138","35","11144","11147","10.1021/jacs.6b07673","","","1.54178","CuKα","","0.1018","0.082","","","0.2322","0.2467","","","","","","1.078","","","","has coordinates","241230","2020-10-21","18:00:00",""
"4130873","11.6759","0.0005","23.0296","0.0009","16.4573","0.0007","90","","92.66","0.001","90","","4420.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hxqC31","","","- C52 H47 N4 O Rh S2 -","- C52 H47 N4 O Rh S2 -","- C208 H188 N16 O4 Rh4 S8 -","4","1","","Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.","Journal of the American Chemical Society","2016","138","38","12636","12642","10.1021/jacs.6b07692","","","0.71073","MoKα","","0.0281","0.0227","","","0.0533","0.0556","","","","","","1.052","","","","has coordinates,has disorder","241231","2020-10-21","18:00:00",""
"4130874","9.8543","0.0004","13.1873","0.0006","15.4684","0.0007","90","","90","","90","","2010.14","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O3 -","- C22 H21 Br N2 O3 -","- C88 H84 Br4 N8 O12 -","4","1","","Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.","Journal of the American Chemical Society","2016","138","38","12636","12642","10.1021/jacs.6b07692","","","0.71073","MoKα","","0.0394","0.0376","","","0.0778","0.0787","","","","","","1.152","","","","has coordinates,has disorder","241232","2020-10-21","18:00:00",""
"4130875","33.1646","0.0012","16.8051","0.0005","16.116","0.0004","90","","102.709","0.003","90","","8761.9","0.5","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C256 H320 Cl16 Ir16 N32 O40 -","8","2","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","1.54178","CuKα","","0.0896","0.0721","","","0.1705","0.1844","","","","","","1.045","","","","has coordinates","241233","2020-10-21","18:00:00",""
"4130876","22.2543","0.0015","8.3385","0.0006","18.2152","0.0012","90","","98.991","0.007","90","","3338.6","0.4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C128 H160 Cl8 Ir8 N16 O20 -","4","0.5","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","1.54184","CuKα","","0.1204","0.0874","","","0.2241","0.262","","","","","","1.18","","","","has coordinates","241234","2020-10-21","18:00:00",""
"4130877","10.8298","0.0008","12.6652","0.0009","15.9733","0.0011","69.833","0.001","89.721","0.001","67.888","0.001","1885.6","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Cl2 Ir2 N4 O5 -","- C32 H40 Cl2 Ir2 N4 O5 -","- C64 H80 Cl4 Ir4 N8 O10 -","2","1","","Sharninghausen, Liam S.; Sinha, Shashi Bhushan; Shopov, Dimitar Y.; Choi, Bonnie; Mercado, Brandon Q.; Roy, Xavier; Balcells, David; Brudvig, Gary W.; Crabtree, Robert H.","High Oxidation State Iridium Mono-μ-oxo Dimers Related to Water Oxidation Catalysis.","Journal of the American Chemical Society","2016","138","49","15917","15926","10.1021/jacs.6b07716","","","0.71073","MoKα","","0.0338","0.028","","","0.0693","0.0708","","","","","","0.961","","","","has coordinates","241235","2020-10-21","18:00:00",""
"4130878","17.69275","0.00019","12.14541","0.00009","15.50402","0.00015","90","","114.032","0.0012","90","","3042.8","0.06","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Au F2 N -","- C38 H36 Au F2 N -","- C152 H144 Au4 F8 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0294","0.0209","","","0.0429","0.0468","","","","","","1.072","","","","has coordinates","241236","2020-10-21","18:00:00",""
"4130879","31.0475","0.0002","31.0475","0.0002","41.4313","0.0004","90","","90","","90","","39937.6","0.5","160","2","160","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C34.83 H39.33 Au Cl2.33 F N -","- C34.8333 H39.3333 Au Cl2.33333 F N -","- C1672 H1888 Au48 Cl112 F48 N48 -","48","3","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0961","0.0463","","","0.0925","0.112","","","","","","1.031","","","","has coordinates,has disorder","241237","2020-10-21","18:00:00",""
"4130880","7.45956","0.00014","16.6803","0.0002","16.8248","0.0004","90","","90","","90","","2093.47","0.07","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au F3 N -","- C12 H9 Au F3 N -","- C96 H72 Au8 F24 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0463","0.0299","","","0.0595","0.0676","","","","","","1.09","","","","has coordinates","241238","2020-10-21","18:00:00",""
"4130881","13.7561","0.0002","16.1","0.0008","14.8396","0.0002","90","","101.209","0.0015","90","","3223.88","0.17","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H17 Au Cl F2 N O3 -","- C15.5 H17 Au Cl F2 N O3 -","- C124 H136 Au8 Cl8 F16 N8 O24 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0397","0.0366","","","0.0758","0.0777","","","","","","1.046","","","","has coordinates","241239","2020-10-21","18:00:00",""
"4130882","18.8532","0.001","10.5063","0.0006","19.8505","0.0014","90","","93.844","0.005","90","","3923.1","0.4","160","1","160","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C47 H58 Au N -","- C47 H58 Au N -","- C188 H232 Au4 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","x-ray","0.71073","MoKα","","0.0996","0.0608","","","0.1307","0.1529","","","","","","1.025","","","","has coordinates,has disorder","241240","2020-10-21","18:00:00",""
"4130883","21.1376","0.0003","16.4885","0.0002","7.53055","0.00008","90","","90","","90","","2624.6","0.06","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H15 Au F11 N O3 -","- C24 H9 Au F11 N -","- C96 H36 Au4 F44 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0307","0.0252","","","0.0561","0.0581","","","","","","1.065","","","","has coordinates","241241","2020-10-21","18:00:00",""
"4130884","9.0882","0.0001","9.6379","0.0001","13.1489","0.0002","76.8345","0.0008","74.7697","0.0009","64.6373","0.0009","995.36","0.02","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Au Br F7 N -","- C20 H12 Au Br F7 N -","- C40 H24 Au2 Br2 F14 N2 -","2","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0376","0.0331","","","0.0875","0.0896","","","","","","1.068","","","","has coordinates,has disorder","241242","2020-10-21","18:00:00",""
"4130885","7.8063","0.0001","17.0746","0.0003","17.892","0.0003","90","","90","","90","","2384.81","0.07","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au Cl2 F N -","- C12 H9 Au Cl2 F N -","- C96 H72 Au8 Cl16 F8 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0375","0.0257","","","0.0535","0.0582","","","","","","1.075","","","","has coordinates","241243","2020-10-21","18:00:00",""
"4130886","15.4933","0.0003","26.3923","0.0005","4.40199","0.0001","90","","90","","90","","1799.99","0.06","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H12 Au F8 N -","- C20 H12 Au F8 N -","- C80 H48 Au4 F32 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0388","0.0339","","","0.0735","0.0756","","","","","","1.11","","","","has coordinates","241244","2020-10-21","18:00:00",""
"4130887","7.3719","0.0001","18.1864","0.0002","17.5332","0.0002","90","","93.3304","0.0012","90","","2346.68","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 Au F10 N -","- C26 H14 Au F10 N -","- C104 H56 Au4 F40 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0421","0.0379","","","0.0851","0.0869","","","","","","1.193","","","","has coordinates","241245","2020-10-21","18:00:00",""
"4130888","7.4578","0.0001","11.0845","0.0002","19.2172","0.0005","84.5978","0.0018","89.4342","0.0018","87.8411","0.0014","1580.4","0.05","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Au Cl2 N O3 -","- C15 H16 Au Cl2 N O3 -","- C60 H64 Au4 Cl8 N4 O12 -","4","2","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0505","0.0422","","","0.1096","0.1122","","","","","","1.066","","","","has coordinates","241246","2020-10-21","18:00:00",""
"4130889","10.2954","0.0002","9.799","0.0003","17.9311","0.0004","90","","104.827","0.002","90","","1748.74","0.08","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Au F6 N -","- C19 H12 Au F6 N -","- C76 H48 Au4 F24 N4 -","4","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0373","0.0255","","","0.0495","0.0551","","","","","","1.092","","","","has coordinates,has disorder","241247","2020-10-21","18:00:00",""
"4130890","7.5121","0.0002","18.0598","0.0006","17.0484","0.0005","90","","99.554","0.003","90","","2280.82","0.12","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Au F2 N -","- C13 H12 Au F2 N -","- C104 H96 Au8 F16 N8 -","8","2","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0794","0.054","","","0.1224","0.1339","","","","","","1.076","","","","has coordinates","241248","2020-10-21","18:00:00",""
"4130891","37.7343","0.0015","37.7343","0.0015","25.323","0.003","90","","90","","120","","31226","4","122","2","122","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C71 H106 Ge N2 Si2 -","- C71 H106 Ge N2 Si2 -","- C1278 H1908 Ge18 N36 Si36 -","18","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0814","0.0526","","","0.118","0.1275","","","","","","1.078","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130892","15.9617","0.0017","16.6009","0.0018","17.9948","0.0019","114.148","0.005","112.883","0.005","96.575","0.005","3790.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H117 Ge N2 Si2 -","- C83 H117 Ge N2 Si2 -","- C166 H234 Ge2 N4 Si4 -","2","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0672","0.0493","","","0.1414","0.1525","","","","","","1.042","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130893","11.4319","0.0005","14.6466","0.0005","21.5014","0.0009","100.512","0.001","92.045","0.001","95.265","0.001","3519.7","0.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H108 Ge N2 Si2 -","- C77 H108 Ge N2 Si2 -","- C154 H216 Ge2 N4 Si4 -","2","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0533","0.0385","","","0.0941","0.1015","","","","","","1.028","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130894","12.6352","0.0003","23.8472","0.0006","25.5287","0.0007","90","","101.535","0.001","90","","7536.8","0.3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76.25 H115 Ge N2 Si2 -","- C76.25 H112 Ge N2 Si2 -","- C305 H448 Ge4 N8 Si8 -","4","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0789","0.0571","","","0.1648","0.1777","","","","","","1.107","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130895","12.7844","0.0008","22.7467","0.0013","23.418","0.0011","90","","94.49","0.003","90","","6789.1","0.7","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74.5 H107 Ge N3 Si2 -","- C74.5 H107 Ge N3 Si2 -","- C298 H428 Ge4 N12 Si8 -","4","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.1008","0.0523","","","0.096","0.1096","","","","","","1.01","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130896","13.255","0.0005","25.4218","0.0008","23.768","0.0008","90","","101.111","0.002","90","","7858.9","0.5","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H127 Ge N3 Si2 -","- C81.5 H127.35 Ge N3 Si2 -","- C326 H509.4 Ge4 N12 Si8 -","4","1","","Nieder, David; Huch, Volker; Yildiz, Cem B.; Scheschkewitz, David","Regiodiscriminating Reactivity of Isolable NHC-Coordinated Disilenyl Germylene and Its Cyclic Isomer.","Journal of the American Chemical Society","2016","138","42","13996","14005","10.1021/jacs.6b07815","","","0.71073","MoKα","","0.0723","0.0523","","","0.1323","0.143","","","","","","1.042","","","","has coordinates,has disorder","241249","2020-10-21","18:00:00",""
"4130897","28.178","0.008","28.178","0.008","8.7335","0.0018","90","","90","","90","","6934","3","80","2","80","2","","","","","","","","5","I -4","I -4","82","","","","- C146 H112 Cl18 N8 O8 -","- C146 H112 Cl18 N8 O8 -","- C292 H224 Cl36 N16 O16 -","2","0.25","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.1072","0.0746","","","0.1733","0.1941","","","","","","1.047","","","","has coordinates,has disorder","241250","2020-10-21","18:00:00",""
"4130898","7.2916","0.0015","8.7529","0.0016","9.7443","0.0017","88.49","0.04","69.51","0.05","67.04","0.05","532","0.4","80","2","80","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H7 N O3 -","- C16 H7 N O3 -","- C32 H14 N2 O6 -","2","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.1073","0.0675","","","0.1526","0.182","","","","","","1.048","","","","has coordinates","241251","2020-10-21","18:00:00",""
"4130899","29.19","0.01","28.114","0.009","42.68","0.03","90","","102.19","0.05","90","","34236","3","80","2","80","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C176.75 H189 Cl4.5 N8 O8 Zn -","- C176.75 H189 Cl4.5 N8 O8 Zn -","- C1414 H1512 Cl36 N64 O64 Zn8 -","8","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.3707","0.167","","","0.3408","0.4336","","","","","","1.175","","","","has coordinates,has disorder","241252","2020-10-21","18:00:00",""
"4130900","7.1366","0.0018","12.004","0.003","11.688","0.003","90","","102.43","0.02","90","","977.8","0.4","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl2 N3 O2 -","- C21 H21 Cl2 N3 O2 -","- C42 H42 Cl4 N6 O4 -","2","1","","Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin","Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity.","Journal of the American Chemical Society","2016","138","35","11390","11398","10.1021/jacs.6b07826","","","0.71073","MoKα","","0.0376","0.0348","","","0.0844","0.0863","","","","","","1.047","","","","has coordinates","241254","2020-10-21","18:00:00",""
"4130901","7.2467","0.0003","12.0275","0.0004","9.5303","0.0004","90","","109.102","0.0019","90","","784.92","0.05","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H12 Br F2 N O2 -","- C18 H12 Br F2 N O2 -","- C36 H24 Br2 F4 N2 O4 -","2","1","","Huang, Yinhua; Hayashi, Tamio","Rhodium-Catalyzed Asymmetric Arylation/Defluorination of 1-(Trifluoromethyl)alkenes Forming Enantioenriched 1,1-Difluoroalkenes.","Journal of the American Chemical Society","2016","138","38","12340","12343","10.1021/jacs.6b07844","","","0.71073","MoKα","","0.0576","0.0353","","","0.0633","0.0701","","","","","","0.905","","","","has coordinates","241255","2020-10-21","18:00:00",""
"4130902","14.2971","0.0006","31.786","0.0015","13.0756","0.0006","90","","94.512","0.003","90","","5923.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H156 K2 O16 Si2 -","- C108 H156 K2 O16 Si2 -","- C216 H312 K4 O32 Si4 -","2","0.5","","Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M.","A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs.","Journal of the American Chemical Society","2016","138","38","12648","12654","10.1021/jacs.6b07882","","","1.54178","CuKα","","0.101","0.0759","","","0.1838","0.199","","","","","","1.089","","","","has coordinates,has disorder","241256","2020-10-21","18:00:00",""
"4130903","9.169","0.0004","15.4719","0.0007","17.6353","0.0007","66.24","0.002","84.584","0.001","81.803","0.002","2264.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H120 K2 O8 Si2 -","- C88 H120 K2 O8 Si2 -","- C88 H120 K2 O8 Si2 -","1","0.5","","Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M.","A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs.","Journal of the American Chemical Society","2016","138","38","12648","12654","10.1021/jacs.6b07882","","","1.54178","CuKα","","0.0808","0.061","","","0.1927","0.2048","","","","","","1.099","","","","has coordinates,has disorder","241257","2020-10-21","18:00:00",""
"4130904","11.5995","0.0003","12.1738","0.0003","17.0652","0.0004","78.478","0.002","82.51","0.002","72.257","0.001","2242.66","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H116 K O8 Si2 -","- C88 H116 K O8 Si2 -","- C88 H116 K O8 Si2 -","1","0.5","","Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M.","A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs.","Journal of the American Chemical Society","2016","138","38","12648","12654","10.1021/jacs.6b07882","","","1.54178","CuKα","","0.0861","0.0621","","","0.1639","0.1774","","","","","","1.082","","","","has coordinates,has disorder","241258","2020-10-21","18:00:00",""
"4130905","13.8288","0.0005","8.7441","0.0003","17.122","0.0006","90","","111.064","0.002","90","","1932.05","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 B F5 N -","- C24 H15 B F5 N -","- C96 H60 B4 F20 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0792","0.0462","","","0.1081","0.1274","","","","","","1.04","","","","has coordinates","241259","2020-10-21","18:00:00",""
"4130906","9.7376","0.0003","16.5554","0.0005","12.6822","0.0004","90","","101.085","0.002","90","","2006.35","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 B F10 N -","- C24 H10 B F10 N -","- C96 H40 B4 F40 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0481","0.0367","","","0.0898","0.098","","","","","","1.031","","","","has coordinates","241260","2020-10-21","18:00:00",""
"4130907","8.8041","0.0002","16.8557","0.0003","20.7579","0.0004","78.709","0.001","79.587","0.001","82.468","0.001","2956.43","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H28 B2 F36 N2 -","- C60 H28 B2 F36 N2 -","- C120 H56 B4 F72 N4 -","2","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0967","0.0437","","","0.0932","0.1088","","","","","","0.929","","","","has coordinates,has disorder","241261","2020-10-21","18:00:00",""
"4130908","31.316","0.004","8.2742","0.0012","16.832","0.002","90","","90","","90","","4361.4","1","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H32 B N -","- C27 H32 B N -","- C216 H256 B8 N8 -","8","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.1111","0.0513","","","0.1045","0.1276","","","","","","1.007","","","","has coordinates","241262","2020-10-21","18:00:00",""
"4130909","11.275","0.0004","18.5252","0.0006","17.7958","0.0006","90","","98.066","0.002","90","","3680.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 B N -","- C42 H56 B N -","- C168 H224 B4 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0936","0.0509","","","0.1057","0.1237","","","","","","1.026","","","","has coordinates","241263","2020-10-21","18:00:00",""
"4130910","12.4542","0.0005","15.7598","0.0006","9.765","0.0004","90","","107.055","0.002","90","","1832.35","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 B N -","- C24 H20 B N -","- C96 H80 B4 N4 -","4","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0501","0.0405","","","0.1012","0.1094","","","","","","1.047","","","","has coordinates","241264","2020-10-21","18:00:00",""
"4130911","10.8184","0.0006","11.8123","0.0006","12.9256","0.0006","76.622","0.003","67.526","0.003","70.094","0.003","1425.35","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 B F18 N -","- C30 H14 B F18 N -","- C60 H28 B2 F36 N2 -","2","1","","Yang, Deng-Tao; Mellerup, Soren K.; Peng, Jin-Bao; Wang, Xiang; Li, Quan-Song; Wang, Suning","Substituent Directed Phototransformations of BN-Heterocycles: Elimination vs Isomerization via Selective B-C Bond Cleavage.","Journal of the American Chemical Society","2016","138","36","11513","11516","10.1021/jacs.6b07899","","","0.71073","MoKα","","0.0546","0.0393","","","0.0972","0.107","","","","","","1.041","","","","has coordinates,has disorder","241265","2020-10-21","18:00:00",""
"4130912","13.81","0.02","13.81","0.02","18.33","0.03","90","","90","","120","","3027","8","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 In3 N9 O17 Zn2 -","- C30 H18 Cl1.698 In3 N9 O17.302 Zn2 -","- C60 H36 Cl3.396 In6 N18 O34.604 Zn4 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0873","0.0536","","","0.1391","0.1568","","","","","","1.05","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130913","13.8618","0.0013","13.8618","0.0013","18.5079","0.0019","90","","90","","120","","3079.8","0.5","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 In3 N9 Ni2 O17 -","- C30 H18 Cl2.538 In3 N9 Ni2 O16.462 -","- C60 H36 Cl5.076 In6 N18 Ni4 O32.924 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0577","0.0372","","","0.0926","0.0983","","","","","","1.104","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130914","13.857","0.007","13.857","0.007","17.925","0.009","90","","90","","120","","2981","3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Fe4 Mg N9 O19 -","- C30 H18 Fe3.94 Mg1.06 N9 O19 -","- C60 H36 Fe7.88 Mg2.12 N18 O38 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1848","0.1072","","","0.273","0.316","","","","","","1.036","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130915","13.873","0.004","13.873","0.004","18.455","0.007","90","","90","","120","","3076","1.7","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 In5 N9 O16 -","- C30 H18 Cl2.82 In5 N9 O16.18 -","- C60 H36 Cl5.64 In10 N18 O32.36 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1254","0.1001","","","0.3114","0.3381","","","","","","1.332","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130916","14.0529","0.001","14.0529","0.001","18.4071","0.0013","90","","90","","120","","3148.1","0.4","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 In3 Mn2 N9 O16 -","- C30 H18 Cl3.06 In3 Mn2 N9 O15.94 -","- C60 H36 Cl6.12 In6 Mn4 N18 O31.88 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0564","0.0456","","","0.1552","0.1622","","","","","","1.228","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130917","13.905","0.0006","13.905","0.0006","18.4663","0.0008","90","","90","","120","","3092.1","0.2","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl2 Co2 In3 N9 O17 -","- C30 H18 Cl2.04 Co2 In3 N9 O16.96 -","- C60 H36 Cl4.08 Co4 In6 N18 O33.92 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0347","0.029","","","0.0756","0.0791","","","","","","1.181","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130918","13.9818","0.0002","13.9818","0.0002","18.3209","0.0003","90","","90","","120","","3101.73","0.08","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Cl3 Co2 In3 N12 O16 -","- C30 H18 Cl3.24 Co2 In3 N12 O15.76 -","- C60 H36 Cl6.48 Co4 In6 N24 O31.52 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0615","0.0498","","","0.1489","0.1539","","","","","","1.192","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130920","14.1065","0.0009","14.1065","0.0009","18.2678","0.0012","90","","90","","120","","3148.2","0.4","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H24 Cl2 Co2 In3 N15 O17 -","- C30 H24 Cl2.4 Co2 In3 N15 O16.6 -","- C60 H48 Cl4.8 Co4 In6 N30 O33.2 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0529","0.0424","","","0.1273","0.1327","","","","","","1.112","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130921","13.893","0.005","13.893","0.005","18.368","0.007","90","","90","","120","","3070","2","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H16 Cl2 Co2 In3 N9 O20 -","- C30 H6 Cl2.1 Co2 In3 N9 O19.9 -","- C60 H12 Cl4.2 Co4 In6 N18 O39.8 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0855","0.0622","","","0.185","0.1946","","","","","","1.169","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130922","13.9738","0.0019","13.9738","0.0019","18.373","0.003","90","","90","","120","","3107","0.8","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cl2 Co2 In3 N12 O20 -","- C30 H6 Cl2.58 Co2 In3 N12 O19.42 -","- C60 H12 Cl5.16 Co4 In6 N24 O38.84 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0752","0.0501","","","0.1384","0.1475","","","","","","1.129","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130923","13.804","0.003","13.804","0.003","18.435","0.003","90","","90","","120","","3042.2","1.1","174","2","174","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cl2 Co2 In3 N9 O23 -","- C30 H6 Cl1.02 Co2 In3 N9 O23.98 -","- C60 H12 Cl2.04 Co4 In6 N18 O47.96 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0675","0.0562","","","0.169","0.1772","","","","","","1.117","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130924","13.8392","0.001","13.8392","0.001","23.269","0.0018","90","","90","","120","","3859.5","0.5","174","2","174","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C42 H6 Cl4 Co2 In3 N9 O16 -","- C42 H6 Cl4.06 Co2 In3 N9 O15.94 -","- C84 H12 Cl8.12 Co4 In6 N18 O31.88 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0875","0.0545","","","0.1707","0.1826","","","","","","1.162","","","","has coordinates,has disorder","241266","2020-10-21","18:00:00",""
"4130925","15.727","0.003","15.727","0.003","16.957","0.004","90","","90","","120","","3632.2","1.3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H18 Ag3 In3 N9 O13 -","- C30 H18 Ag3 In3 N9 O13 -","- C60 H36 Ag6 In6 N18 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0575","0.0441","","","0.1314","0.1387","","","","","","1.158","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130926","15.7672","0.0007","15.7672","0.0007","16.6814","0.0008","90","","90","","120","","3591.5","0.3","174","2","174","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C30 H6 Cu3 Fe3 N9 O20 -","- C30 H6 Cu3 Fe3 N9 O20 -","- C60 H12 Cu6 Fe6 N18 O40 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.1328","0.1196","","","0.3559","0.3647","","","","","","2.997","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130927","13.636","0.001","13.636","0.001","14.9222","0.0013","90","","90","","120","","2402.9","0.3","174","2","174","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C21 H9 Ag In3 N3 O16 -","- C21 H9 Ag In3 N3 O16 -","- C42 H18 Ag2 In6 N6 O32 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0436","0.0404","","","0.1209","0.1248","","","","","","1.195","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130928","13.1696","0.0012","13.1696","0.0012","14.7973","0.0017","90","","90","","120","","2222.6","0.4","174","2","174","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C21 H9 Cu Mg3 N3 O16 -","- C21 H9 Cu Mg3 N3 O16 -","- C42 H18 Cu2 Mg6 N6 O32 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0592","0.0518","","","0.1504","0.1577","","","","","","1.084","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130929","11.745","0.003","12.572","0.003","18.886","0.004","85.344","0.004","78.547","0.004","63","0.004","2435.1","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H79 Ce Li N4 O5 Si3 -","- C38 H79 Ce Li N4 O5 Si3 -","- C76 H158 Ce2 Li2 N8 O10 Si6 -","2","1","","Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.","Journal of the American Chemical Society","2016","138","39","12743","12746","10.1021/jacs.6b07932","","","0.71073","MoKα","","0.0517","0.0362","","","0.096","0.1105","","","","","","0.784","","","","has coordinates","241267","2020-10-21","18:00:00",""
"4130930","37.342","0.011","11.365","0.003","22.312","0.007","90","","99.875","0.008","90","","9329","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H154 Ce2 Li2 N10 O14 Si6 -","- C71 H154 Ce2 Li2 N10 O14 Si6 -","- C284 H616 Ce8 Li8 N40 O56 Si24 -","4","0.5","","Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.","Journal of the American Chemical Society","2016","138","39","12743","12746","10.1021/jacs.6b07932","","","0.71073","MoKα","","0.1502","0.0671","","","0.1545","0.1971","","","","","","0.959","","","","has coordinates","241267","2020-10-21","18:00:00",""
"4130931","11.8041","0.0008","20.3061","0.0012","17.3715","0.0011","90","","93.916","0.004","90","","4154.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H72 Ce N4 O Si4 -","- C30 H72 Ce N4 O Si4 -","- C120 H288 Ce4 N16 O4 Si16 -","4","1","","Damon, Peter L.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Formation of a Ce(IV) Oxo Complex via Inner Sphere Nitrate Reduction.","Journal of the American Chemical Society","2016","138","39","12743","12746","10.1021/jacs.6b07932","","","0.71073","MoKα","","0.077","0.0501","","","0.1071","0.1172","","","","","","1.019","","","","has coordinates","241267","2020-10-21","18:00:00",""
"4130932","19.0579","0.0002","17.9828","0.0002","19.5453","0.0002","90","","91.7138","0.0009","90","","6695.46","0.12","150","","150","","","","","","","","SYN","7","P 1 21/n 1","-P 2yn","14","","ENDO-D4-2","","- C65 H68 B D4 F24 P2 Rh -","- C65 H68 B D4 F24 P2 Rh -","- C260 H272 B4 D16 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","neutron","0.85","neutron","","0.2699","0.1918","","0.3527","0.1781","0.1631","","","","","","1.2632","","","","has coordinates","241268","2020-10-21","18:00:00",""
"4130933","19.0579","0.0002","17.9828","0.0002","19.5453","0.0002","90","","91.7138","0.0009","90","","6695.46","0.12","150","","150","","","","","","","","SYN","7","P 1 21/n 1","-P 2yn","14","","exoD4-2","","- C65 H68 B D4 F24 P2 Rh -","- C65 H68 B D4 F24 P2 Rh -","- C260 H272 B4 D16 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","neutron","0.85","neutron","","0.2447","0.1676","","0.2549","0.1392","0.1312","","","","","","1.3622","","","","has coordinates","241268","2020-10-21","18:00:00",""
"4130934","19.0579","0.0002","17.9828","0.0002","19.5453","0.0002","90","","91.7138","0.0009","90","","6695.46","0.12","150","","150","","","","","","","","SYN","7","P 1 21/n 1","-P 2yn","14","","D8-2","","- C65 H64 B D8 F24 P2 Rh -","- C65 H64 B D8 F24 P2 Rh -","- C260 H256 B4 D32 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","neutron","0.85","neutron","","0.3062","0.1897","","0.3749","0.1829","0.1544","","","","","","1.4819","","","","has coordinates","241268","2020-10-21","18:00:00",""
"4130935","19.1","0.002","18.289","0.0009","27.926","0.003","90","","134.55","0.02","90","","6952","3","290","","290","","","","","","","","SYN","6","P 1 21/c 1","-P 2ybc","14","","H8-2-290K","","- C65 H72 B F24 P2 Rh -","- C65 H72 B F24 P2 Rh -","- C260 H288 B4 F96 P8 Rh4 -","4","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","","1.5418","CuKα","","0.0776","0.0637","","0.1879","0.1632","0.1876","","","","","","0.8662","","","","has coordinates,has disorder","241268","2020-10-21","18:00:00",""
"4130936","12.8281","0.0007","13.1804","0.0007","19.8019","0.0006","93.895","0.003","91.116","0.003","94.19","0.004","3330.4","0.3","150","","150","","","","","","","","SYN","6","P -1","-P 1","2","","","","- C65 H70 B F24 P2 Rh -","- C65 H70 B F24 P2 Rh -","- C130 H140 B2 F48 P4 Rh2 -","2","1","","Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S.","Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange.","Journal of the American Chemical Society","2016","138","40","13369","13378","10.1021/jacs.6b07968","","","1.5418","CuKα","","0.1228","0.1059","","0.2826","0.2648","0.2826","","","","","","0.9951","","","","has coordinates,has disorder","241268","2020-10-21","18:00:00",""
"4130937","12.5207","0.0005","18.3664","0.0009","20.2423","0.001","90","","90","","90","","4654.9","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H34 F3 N2 O3 P Pd S -","- C51 H34 F3 N2 O3 P Pd S -","- C204 H136 F12 N8 O12 P4 Pd4 S4 -","4","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.56085","AgKα","","0.0523","0.0438","","","0.1185","0.1259","","","","","","0.958","","","","has coordinates","241269","2020-10-21","18:00:00",""
"4130938","9.591","0.0002","9.591","0.0002","43.0251","0.0013","90","","90","","90","","3957.76","0.17","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22.5 H17 Br Cl N2 -","- C22.5 H17 Br Cl N2 -","- C180 H136 Br8 Cl8 N16 -","8","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","1.54178","CuKα","","0.0294","0.0294","","","0.11","0.11","","","","","","1.021","","","","has coordinates,has disorder","241270","2020-10-21","18:00:00",""
"4130939","11.1433","0.0004","11.3328","0.0004","20.944","0.0007","85.41","0.002","76.594","0.002","63.661","0.002","2304.95","0.15","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H17 Br0.5 N P0.5 Pd0.5 -","- C25 H17 Br0.5 N P0.5 Pd0.5 -","- C100 H68 Br2 N4 P2 Pd2 -","4","4","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.71073","MoKα","","0.0729","0.0656","","","0.1747","0.179","","","","","","1.257","","","","has coordinates","241271","2020-10-21","18:00:00",""
"4130940","13.455","0.0005","14.1052","0.0006","23.7803","0.0009","90","","90","","90","","4513.2","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H38 Cl2 Cu F6 N4 P -","- C51 H38 Cl2 Cu F6 N4 P -","- C204 H152 Cl8 Cu4 F24 N16 P4 -","4","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.56085","AgKα","","0.0777","0.0643","","","0.1826","0.1906","","","","","","1.376","","","","has coordinates","241272","2020-10-21","18:00:00",""
"4130941","14.2729","0.0005","7.7016","0.0002","12.3179","0.0004","90","","90","","90","","1354.03","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H18 Cl4 Cu N2 -","- C7 H18 Cl4 Cu N2 -","- C28 H72 Cl16 Cu4 N8 -","4","1","","Su, Lebin; Dong, Jianyu; Liu, Long; Sun, Mengli; Qiu, Renhua; Zhou, Yongbo; Yin, Shuang-Feng","Copper Catalysis for Selective Heterocoupling of Terminal Alkynes.","Journal of the American Chemical Society","2016","138","38","12348","12351","10.1021/jacs.6b07984","","","0.71073","MoKα","","0.0244","0.0225","","","0.0538","0.055","","","","","","1.064","","","","has coordinates","241273","2020-10-21","18:00:00",""
"4130942","21.9618","0.0012","9.3625","0.0005","22.1686","0.0012","90","","108.081","0.0014","90","","4333.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F6 I2 O7 S2 -","- C14 H10 F6 I2 O7 S2 -","- C112 H80 F48 I16 O56 S16 -","8","2","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0573","0.0399","","","0.0867","0.0941","","","","","","1.015","","","","has coordinates","241274","2020-10-21","18:00:00",""
"4130943","4.1971","0.0002","10.0492","0.0004","14.9871","0.0007","108.6","0.001","93.4806","0.0012","93.8251","0.0012","595.52","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 F4 I O4 -","- C10 H7 F4 I O4 -","- C20 H14 F8 I2 O8 -","2","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0376","0.0358","","","0.0925","0.0935","","","","","","1.139","","","","has coordinates,has disorder","241276","2020-10-21","18:00:00",""
"4130944","5.4807","0.0017","9.086","0.003","14.021","0.004","78.903","0.01","81.424","0.011","89.698","0.01","677.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 B F5 I O4 -","- C10 H9 B F5 I O4 -","- C20 H18 B2 F10 I2 O8 -","2","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.1269","0.1125","","","0.2796","0.2866","","","","","","1.185","","","","has coordinates","241277","2020-10-21","18:00:00",""
"4130945","4.7135","0.0004","14.0456","0.0013","17.2837","0.0016","90","","97.432","0.003","90","","1134.64","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F2 I O4 -","- C7.75 H6.75 F2 I O4 -","- C31 H27 F8 I4 O16 -","4","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0265","0.0218","","","0.0498","0.052","","","","","","1.051","","","","has coordinates,has disorder","241278","2020-10-21","18:00:00",""
"4130946","9.655","0.0008","8.3949","0.0006","16.7646","0.0013","90","","94.564","0.002","90","","1354.51","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 B F3 I O4 -","- C10 H11 B F3 I O4 -","- C40 H44 B4 F12 I4 O16 -","4","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0709","0.0417","","","0.0935","0.1071","","","","","","0.995","","","","has coordinates","241279","2020-10-21","18:00:00",""
"4130947","10.4843","0.0019","18.257","0.003","7.1821","0.0014","90","","105.714","0.005","90","","1323.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 I O5 S -","- C9 H8 F3 I O5 S -","- C36 H32 F12 I4 O20 S4 -","4","1","","Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr","Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.","Journal of the American Chemical Society","2016","138","39","12747","12750","10.1021/jacs.6b07999","","","0.71073","MoKα","","0.0415","0.0304","","","0.0685","0.073","","","","","","1.069","","","","has coordinates","241280","2020-10-21","18:00:00",""
"4130948","10.013","0.0005","10.1635","0.0005","27.9932","0.0015","90","","96.198","0.001","90","","2832.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 N2 Si2 Ti -","- C26 H49 N2 Si2 Ti -","- C104 H196 N8 Si8 Ti4 -","4","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","0.71073","MoKα","","0.0419","0.0367","","","0.0919","0.0967","","","","","","1.048","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130949","9.354","0.0002","34.1029","0.0009","9.8695","0.0003","90","","112.423","0.001","90","","2910.32","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 Cl N2 Si2 Ti -","- C26 H49 Cl N2 Si2 Ti -","- C104 H196 Cl4 N8 Si8 Ti4 -","4","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54178","CuKα","","0.0543","0.0532","","","0.1203","0.1208","","","","","","1.226","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130950","16.947","0.005","25.011","0.005","18.486","0.005","90","","103.507","0.005","90","","7619","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 Cr N O3 Si3 Ti -","- C35 H57 Cr N O3 Si3 Ti -","- C280 H456 Cr8 N8 O24 Si24 Ti8 -","8","2","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54185","CuKα","","0.0861","0.0731","","","0.1796","0.1885","","","","","","1.029","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4130951","9.1532","0.0007","12.5803","0.0013","17.0067","0.0012","83.424","0.007","81.854","0.006","87.114","0.007","1924.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H55 Cl Cr O3 Si2 Ti -","- C39 H55 Cl Cr O3 Si2 Ti -","- C78 H110 Cl2 Cr2 O6 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54178","CuKα","","0.0644","0.049","","","0.1232","0.1331","","","","","","1.028","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130952","11.3506","0.0004","11.4109","0.0004","19.1965","0.0008","90.264","0.002","92.62","0.002","111.119","0.002","2316.33","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cr2 O6 Si2 Ti -","- C40 H52 Cr2 O6 Si2 Ti -","- C80 H104 Cr4 O12 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","1.54178","CuKα","","0.1069","0.089","","","0.2353","0.2547","","","","","","1.106","","","","has coordinates,has disorder","241281","2020-10-21","18:00:00",""
"4130953","10.3627","0.0004","12.2002","0.0004","17.5696","0.0006","70.851","0.002","86.046","0.002","65.795","0.001","1908.34","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H57 Cr O3 Si2 Ti -","- C37 H57 Cr O3 Si2 Ti -","- C74 H114 Cr2 O6 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","0.71073","MoKα","","0.033","0.0295","","","0.0761","0.0786","","","","","","1.058","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130954","39.623","0.002","12.6771","0.0009","17.4694","0.0015","90","","108.997","0.003","90","","8297","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H57 Cl Cr O3 Si2 Zr -","- C37 H57 Cl Cr O3 Si2 Zr -","- C296 H456 Cl8 Cr8 O24 Si16 Zr8 -","8","1","","Pappas, Iraklis; Chirik, Paul J.","Catalytic Proton Coupled Electron Transfer from Metal Hydrides to Titanocene Amides, Hydrazides and Imides: Determination of Thermodynamic Parameters Relevant to Nitrogen Fixation.","Journal of the American Chemical Society","2016","138","40","13379","13389","10.1021/jacs.6b08009","","","0.71073","MoKα","","0.0473","0.0337","","","0.0904","0.0985","","","","","","1.056","","","","has coordinates","241281","2020-10-21","18:00:00",""
"4130955","18.3847","0.0003","18.3847","0.0003","48.568","0.0011","90","","90","","120","","14216.5","0.5","120","2","120","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C29 H33 Cu N5 O7 -","- C19 H11 Cu N3 O5 -","- C342 H198 Cu18 N54 O90 -","18","1","","Benson, Oguarabau; da Silva, Ivan; Argent, Stephen P.; Cabot, Rafel; Savage, Mathew; Godfrey, Harry G. W.; Yan, Yong; Parker, Stewart F.; Manuel, Pascal; Lennox, Matthew J.; Mitra, Tamoghna; Easun, Timothy L.; Lewis, William; Blake, Alexander J.; Besley, Elena; Yang, Sihai; Schröder, Martin","Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal-Organic Framework.","Journal of the American Chemical Society","2016","138","45","14828","14831","10.1021/jacs.6b08059","","x-ray","0.71073","MoKα","","0.0342","0.0328","","","0.0969","0.0985","","","","","","1.051","","","","has coordinates,has disorder","241282","2020-10-21","18:00:00",""
"4130956","8.8713","0.0006","9.1631","0.0006","11.2812","0.0009","83.142","0.004","78.687","0.004","71.594","0.004","851.58","0.11","117","2","117","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N O -","- C22 H15 N O -","- C44 H30 N2 O2 -","2","1","","Pearson, Ryan M.; Lim, Chern-Hooi; McCarthy, Blaine G.; Musgrave, Charles B.; Miyake, Garret M.","Organocatalyzed Atom Transfer Radical Polymerization Using N-Aryl Phenoxazines as Photoredox Catalysts.","Journal of the American Chemical Society","2016","138","35","11399","11407","10.1021/jacs.6b08068","","","0.71073","MoKα","","0.0976","0.0569","","","0.1236","0.1452","","","","","","1.03","","","","has coordinates","241283","2020-10-21","18:00:00",""
"4130957","14.79","0.005","6.904","0.002","17.265","0.006","90","","113.094","0.015","90","","1621.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N S -","- C22 H15 N S -","- C88 H60 N4 S4 -","4","1","","Pearson, Ryan M.; Lim, Chern-Hooi; McCarthy, Blaine G.; Musgrave, Charles B.; Miyake, Garret M.","Organocatalyzed Atom Transfer Radical Polymerization Using N-Aryl Phenoxazines as Photoredox Catalysts.","Journal of the American Chemical Society","2016","138","35","11399","11407","10.1021/jacs.6b08068","","","0.71073","MoKα","","0.0633","0.0422","","","0.1143","0.1254","","","","","","1.045","","","","has coordinates","241284","2020-10-21","18:00:00",""
"4130958","12.668","0.002","13.37","0.002","20.68","0.003","80.951","0.004","88.335","0.004","62.771","0.003","3072","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H89 K N2 Ni O7 S -","- C60 H80 K N2 Ni O7 S -","- C120 H160 K2 N4 Ni2 O14 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Reactivity of a Nickel Sulfide with Carbon Monoxide and Nitric Oxide.","Journal of the American Chemical Society","2016","138","38","12352","12355","10.1021/jacs.6b08084","","","0.71073","MoKα","","0.1378","0.0791","","","0.2006","0.2346","","","","","","1.038","","","","has coordinates","241285","2020-10-21","18:00:00",""
"4130959","16.8321","0.0013","9.37","0.0006","22.5816","0.0018","90","","106.526","0.005","90","","3414.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 N3 Ni O -","- C35 H53 N3 Ni O -","- C140 H212 N12 Ni4 O4 -","4","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Reactivity of a Nickel Sulfide with Carbon Monoxide and Nitric Oxide.","Journal of the American Chemical Society","2016","138","38","12352","12355","10.1021/jacs.6b08084","","","0.71073","MoKα","","0.0857","0.0513","","","0.1073","0.1202","","","","","","1.035","","","","has coordinates","241285","2020-10-21","18:00:00",""
"4130960","9.4771","0.0014","14.0478","0.0018","16.771","0.003","90","","98.978","0.004","90","","2205.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Cl2 K N O7 S2 -","- C13 H26 Cl2 K N O7 S2 -","- C52 H104 Cl8 K4 N4 O28 S8 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Reactivity of a Nickel Sulfide with Carbon Monoxide and Nitric Oxide.","Journal of the American Chemical Society","2016","138","38","12352","12355","10.1021/jacs.6b08084","","","0.71073","MoKα","","0.0515","0.0343","","","0.0676","0.074","","","","","","1.016","","","","has coordinates","241285","2020-10-21","18:00:00",""
"4130961","8.8855","0.0008","17.9963","0.0017","13.146","0.0012","90","","105.177","0.003","90","","2028.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O7 S -","- C21 H19 N O7 S -","- C84 H76 N4 O28 S4 -","4","1","","Shen, Tao; Zhang, Yiqun; Liang, Yu-Feng; Jiao, Ning","Direct Tryptophols Synthesis from 2-Vinylanilines and Alkynes via C≡C Triple Bond Cleavage and Dioxygen Activation.","Journal of the American Chemical Society","2016","138","40","13147","13150","10.1021/jacs.6b08094","","","0.71073","MoKα","","0.0661","0.0389","","","0.0845","0.0991","","","","","","1.043","","","","has coordinates","241286","2020-10-21","18:00:00",""
"4130962","11.7697","0.0004","14.8198","0.0005","13.0749","0.0004","90","","107.482","0.001","90","","2175.25","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O7 S -","- C21 H21 N O7 S -","- C84 H84 N4 O28 S4 -","4","1","","Shen, Tao; Zhang, Yiqun; Liang, Yu-Feng; Jiao, Ning","Direct Tryptophols Synthesis from 2-Vinylanilines and Alkynes via C≡C Triple Bond Cleavage and Dioxygen Activation.","Journal of the American Chemical Society","2016","138","40","13147","13150","10.1021/jacs.6b08094","","","0.71073","MoKα","","0.0636","0.0429","","","0.1103","0.1239","","","","","","1.034","","","","has coordinates","241287","2020-10-21","18:00:00",""
"4130963","47.8736","0.0015","19.1675","0.0006","16.5421","0.0005","90","","97.306","0.002","90","","15056.1","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C91.5 H91.5 N0 -","- C91.5 H91.5 -","- C732 H732 -","8","1","","Lu, Xuefeng; Lee, Sangsu; Kim, Jun Oh; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Herng, Tun Seng; Lim, Zhenglong; Zeng, Zebing; Ding, Jun; Kim, Dongho; Wu, Jishan","Stable 3,6-Linked Fluorenyl Radical Oligomers with Intramolecular Antiferromagnetic Coupling and Polyradical Characters.","Journal of the American Chemical Society","2016","138","39","13048","13058","10.1021/jacs.6b08138","","","1.54178","CuKα","","0.1224","0.0998","","","0.272","0.2901","","","","","","1.084","","","","has coordinates,has disorder","241288","2020-10-21","18:00:00",""
"4130964","53.095","0.004","10.224","0.0008","35.66","0.002","90","","109.528","0.007","90","","18244","2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C102 H96 -","- C102 H96 -","- C816 H768 -","8","1","","Lu, Xuefeng; Lee, Sangsu; Kim, Jun Oh; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Herng, Tun Seng; Lim, Zhenglong; Zeng, Zebing; Ding, Jun; Kim, Dongho; Wu, Jishan","Stable 3,6-Linked Fluorenyl Radical Oligomers with Intramolecular Antiferromagnetic Coupling and Polyradical Characters.","Journal of the American Chemical Society","2016","138","39","13048","13058","10.1021/jacs.6b08138","","","1.54178","CuKα","","0.2116","0.1736","","","0.4337","0.4579","","","","","","1.554","","","","has coordinates","241289","2020-10-21","18:00:00",""
"4130965","33.5416","0.001","7.4594","0.0002","15.8608","0.0005","90","","106.7","0.003","90","","3801","0.2","180","2","180","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C30 H46 B2 Cl4 F N O7 S -","- C30 H46 B2 Cl4 F N O7 S -","- C120 H184 B8 Cl16 F4 N4 O28 S4 -","4","0.5","","Davis, Holly J.; Mihai, Madalina T.; Phipps, Robert J.","Ion Pair-Directed Regiocontrol in Transition-Metal Catalysis: A Meta-Selective C-H Borylation of Aromatic Quaternary Ammonium Salts.","Journal of the American Chemical Society","2016","138","39","12759","12762","10.1021/jacs.6b08164","","","1.54178","CuKα","","0.1111","0.0943","","","0.2727","0.2915","","","","","","1.057","","","","has coordinates,has disorder","241290","2020-10-21","18:00:00",""
"4130966","44.856","0.002","44.856","0.002","44.856","0.002","90","","90","","90","","90253","7","100","0.1","100.15","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C94 H68 O32 Zr6 -","- C93.9996 H63.0012 O32 Zr6 -","- C1503.99 H1008.02 O512 Zr96 -","16","0.0833333","","Alezi, Dalal; Spanopoulos, Ioannis; Tsangarakis, Constantinos; Shkurenko, Aleksander; Adil, Karim; Belmabkhout, Youssef; O Keeffe, Michael; Eddaoudi, Mohamed; Trikalitis, Pantelis N.","Reticular Chemistry at Its Best: Directed Assembly of Hexagonal Building Units into the Awaited Metal-Organic Framework with the Intricate Polybenzene Topology, pbz-MOF.","Journal of the American Chemical Society","2016","138","39","12767","12770","10.1021/jacs.6b08176","","","1.54178","CuKα","","0.1006","0.08","","","0.2482","0.2703","","","","","","1.003","","","","has coordinates,has disorder","241291","2020-10-21","18:00:00",""
"4130967","10.3259","0.0014","10.7672","0.0014","10.8895","0.0015","102.936","0.003","115.2","0.003","99.243","0.003","1021.7","0.2","198","2","198.21","","","","","","","","","4","P -1","-P 1","2","","Pinacolone enolate","","- C18 H33 Li3 O3 -","- C18 H33 Li3 O3 -","- C36 H66 Li6 O6 -","2","1","","Guang, Jie; Liu, Qiyong; Hopson, Russell; Kagan, Gerald; Li, Weibin; Monroe, Thomas B.; Williard, Paul G.","Conformational Polymorphism of Lithium Pinacolone Enolate.","Journal of the American Chemical Society","2016","138","46","15177","15188","10.1021/jacs.6b08177","","","0.71073","MoKα","","0.0631","0.0546","","","0.1288","0.1341","","","","","","1.0574","","","","has coordinates","241292","2020-10-21","18:00:00",""
"4130968","12.6934","0.0006","16.405","0.0008","17.556","0.0008","62.79","0.002","82.644","0.002","89.71","0.002","3218.5","0.3","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H48 B Cl2 F24 Ir N2 O2 -","- C64 H48 B Cl2 F24 Ir N2 O2 -","- C128 H96 B2 Cl4 F48 Ir2 N4 O4 -","2","1","","Park, Yoonsu; Heo, Joon; Baik, Mu-Hyun; Chang, Sukbok","Why is the Ir(III)-Mediated Amido Transfer Much Faster Than the Rh(III)-Mediated Reaction? A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2016","138","42","14020","14029","10.1021/jacs.6b08211","","","0.71073","MoKα","","0.0668","0.0527","","","0.1167","0.1257","","","","","","1.081","","","","has coordinates,has disorder","241293","2020-10-21","18:00:00",""
"4130969","12.826","0.004","16.245","0.005","21.953","0.006","89.214","0.012","89.3","0.015","89.609","0.013","4573","2","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H67 N5 O8 -","- C41 H67 N5 O8 -","- C164 H268 N20 O32 -","4","2","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","0.71073","MoKα","","0.0467","0.0391","","","0.102","0.1074","","","","","","1.025","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130970","9.727","0.002","17.75","0.003","25.98","0.003","90","","90","","90","","4485.6","1.3","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.5 H76.5 N6 O7 -","- C41 H68 N6 O7 -","- C164 H272 N24 O28 -","4","1","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","1.54178","CuKα","","0.0458","0.0361","","","0.0782","0.0821","","","","","","1.03","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130971","11.5874","0.0016","23.587","0.003","16.789","0.003","90","","93.663","0.01","90","","4579.3","1.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H74 N6 O7 -","- C44 H74 N6 O7 -","- C176 H296 N24 O28 -","4","2","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","1.54178","CuKα","","0.0335","0.0325","","","0.0808","0.0816","","","","","","1.051","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4130972","9.8305","0.0013","7.1725","0.0009","18.792","0.003","90","","91.454","0.01","90","","1324.6","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O -","- C31 H28 N2 O -","- C62 H56 N4 O2 -","2","1","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","1.54178","CuKα","","0.123","0.0926","","","0.2248","0.2568","","","","","","0.997","","","","has coordinates","241295","2020-10-21","18:00:00",""
"4130973","29.178","0.006","7.2062","0.0014","27.81","0.006","90","","118.307","0.004","90","","5148.2","1.8","130","","130","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cl N4 O3 -","- C30 H25 Cl N4 O3 -","- C240 H200 Cl8 N32 O24 -","8","2","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","0.71073","MoKα","","0.1089","0.0561","","","0.084","0.0994","","","","","","0.97","","","","has coordinates","241296","2020-10-21","18:00:00",""
"4130974","8.8033","0.0004","14.9971","0.0007","24.8202","0.0011","84.356","0.003","85.371","0.003","79.193","0.004","3196.6","0.3","296","","296","","","","","","","","","4","P 1","P 1","1","","","","- C37 H32 N4 O3 -","- C37 H32 N4 O3 -","- C148 H128 N16 O12 -","4","4","","Lin, Hua-Chen; Wang, Pu-Sheng; Tao, Zhong-Lin; Chen, Yu-Gen; Han, Zhi-Yong; Gong, Liu-Zhu","Highly Enantioselective Allylic C-H Alkylation of Terminal Olefins with Pyrazol-5-ones Enabled by Cooperative Catalysis of Palladium Complex and Brønsted Acid.","Journal of the American Chemical Society","2016","138","43","14354","14361","10.1021/jacs.6b08236","","","1.54178","CuKα","","0.0976","0.0867","","","0.2183","0.2413","","","","","","1.021","","","","has coordinates","241297","2020-10-21","18:00:00",""
"4130975","7.3216","0.0003","11.8592","0.0004","14.0954","0.0005","67.1137","0.0006","85.7285","0.0006","88.6015","0.0006","1124.39","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Cl N4 O3 -","- C22 H29 Cl N4 O3 -","- C44 H58 Cl2 N8 O6 -","2","1","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.71073","MoKα","","0.0425","0.0382","","","0.1077","0.1122","","","","","","1.052","","","","has coordinates","241298","2020-10-21","18:00:00",""
"4130976","18.8662","0.0009","21.1549","0.0011","18.224","0.0009","90","","114.134","0.001","90","","6637.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17.14 Cl N4 O1.07 -","- C18 H17.1445 Cl N4 O1.07225 -","- C288 H274.312 Cl16 N64 O17.156 -","16","4","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.41328","synchrotron","","0.0711","0.0586","","","0.1621","0.1768","","","","","","1.043","","","","has coordinates,has disorder","241298","2020-10-21","18:00:00",""
"4130977","10.287","0.004","11.63","0.005","12.711","0.005","63.097","0.004","69.525","0.004","64.5","0.004","1201.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N5 O5 -","- C24 H31 N5 O5 -","- C48 H62 N10 O10 -","2","1","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.71073","MoKα","","0.1099","0.0616","","","0.1576","0.1871","","","","","","1.028","","","","has coordinates,has disorder","241298","2020-10-21","18:00:00",""
"4130978","12.783","0.002","7.119","0.0014","22.379","0.004","90","","97.446","0.003","90","","2019.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N4 O2 -","- C20 H19 N4 -","- C80 H76 N16 -","4","1","","Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart","A Supramolecular Ice Growth Inhibitor.","Journal of the American Chemical Society","2016","138","40","13396","13401","10.1021/jacs.6b08267","","","0.71073","MoKα","","0.1882","0.112","","","0.3555","0.4071","","","","","","1.079","","","","has coordinates,has disorder","241298","2020-10-21","18:00:00",""
"4130979","9.2236","0.0003","12.0067","0.0004","29.5763","0.0011","90","","95.7501","0.0009","90","","3258.95","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 N4 Ni O5 -","- C33 H46 N4 Ni O5 -","- C132 H184 N16 Ni4 O20 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","","0.71073","MoKα","","0.0503","0.0362","","","0.0821","0.088","","","","","","1.068","","","","has coordinates,has disorder","241299","2020-10-21","18:00:00",""
"4130980","13.9373","0.001","11.6859","0.0008","14.2687","0.0009","90","","101.557","0.0017","90","","2276.8","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N4 Ni O2 -","- C25 H24 N4 Ni O2 -","- C100 H96 N16 Ni4 O8 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","x-ray","0.71073","MoKα","","0.072","0.0384","","","0.076","0.0873","","","","","","1.023","","","","has coordinates","241300","2020-10-21","18:00:00",""
"4130981","17.8415","0.0009","11.2027","0.0006","17.1224","0.0008","90","","109.147","0.001","90","","3233","0.3","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H41 N5 Ni O5 -","- C31 H41 N5 Ni O5 -","- C124 H164 N20 Ni4 O20 -","4","1","","Pirovano, Paolo; Farquhar, Erik R.; Swart, Marcel; McDonald, Aidan R.","Tuning the Reactivity of Terminal Nickel(III)-Oxygen Adducts for C-H Bond Activation.","Journal of the American Chemical Society","2016","138","43","14362","14370","10.1021/jacs.6b08406","","x-ray","0.71073","MoKα","","0.061","0.0555","","","0.1351","0.1389","","","","","","1.037","","","","has coordinates,has disorder","241301","2020-10-21","18:00:00",""
"4130982","22.7774","0.0012","22.7774","0.0012","12.8368","0.0006","90","","90","","120","","5767.6","0.5","100","2","100.15","","","","","","","","","7","P 3 2 1","P 3 2""","150","","","","- C112 H105 Eu F9 N9 O25 S3 -","- C112 H105.001 Eu F9 N9 O25.0002 S3 -","- C224 H210.001 Eu2 F18 N18 O50.0004 S6 -","2","0.333333","","Gil-Ramírez, Guzmán; Hoekman, Steven; Kitching, Matthew O.; Leigh, David A.; Vitorica-Yrezabal, Iñigo J; Zhang, Gen","Tying a Molecular Overhand Knot of Single Handedness and Asymmetric Catalysis with the Corresponding Pseudo-D<sub>3</sub>-Symmetric Trefoil Knot.","Journal of the American Chemical Society","2016","138","40","13159","13162","10.1021/jacs.6b08421","","x-ray","0.6889","","","0.1502","0.1144","","","0.3021","0.3394","","","","","","1.093","","","","has coordinates,has disorder","241302","2020-10-21","18:00:00",""
"4130983","10.7702","0.0003","12.3858","0.0003","13.0046","0.0003","80.57","0.001","79.217","0.001","70.885","0.001","1600.33","0.07","100","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H40 N O2 P2 S16 V -","- C65 H43 O2 P2 S16 V -","- C65 H43 O2 P2 S16 V -","1","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","0.71073","MoKα","","0.0374","0.0354","","","0.0871","0.0886","","","","","","1.085","","","","has coordinates,has disorder","241303","2020-10-21","18:00:00",""
"4130984","20.132","0.0005","12.566","0.0004","20.6518","0.0006","90","","94.866","0.001","90","","5205.6","0.3","100.06","","100.06","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 O P2 S10 V -","- C54 H40 O P2 S10 V -","- C216 H160 O4 P8 S40 V4 -","4","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","0.71073","MoKα","","0.0364","0.0305","","","0.0739","0.0773","","","","","","1.034","","","","has coordinates","241304","2020-10-21","18:00:00",""
"4130985","10.9282","0.0005","14.9295","0.0006","15.4749","0.0007","90","","91.432","0.002","90","","2523.98","0.19","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 O3 P2 S8 V -","- C54 H40 O3 P2 S8 V -","- C108 H80 O6 P4 S16 V2 -","2","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","1.54178","CuKα","","0.0746","0.074","","","0.1809","0.1811","","","","","","1.374","","","","has coordinates","241305","2020-10-21","18:00:00",""
"4130986","11.0123","0.0006","15.169","0.0009","15.074","0.0008","90","","94.532","0.003","90","","2510.2","0.2","100","2","100.07","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 O P2 S10 V -","- C54 H40 O P2 S10 V -","- C108 H80 O2 P4 S20 V2 -","2","0.5","","Yu, Chung-Jui; Graham, Michael J.; Zadrozny, Joseph M.; Niklas, Jens; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Poluektov, Oleg G.; Freedman, Danna E.","Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits.","Journal of the American Chemical Society","2016","138","44","14678","14685","10.1021/jacs.6b08467","","","0.71073","MoKα","","0.0541","0.045","","","0.0914","0.0943","","","","","","1.168","","","","has coordinates,has disorder","241306","2020-10-21","18:00:00",""
"4130987","7.7605","0.0011","9.9453","0.0014","22.343","0.003","90","","100.129","0.004","90","","1697.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H7 F9 N2 -","- C20 H7 F9 N2 -","- C80 H28 F36 N8 -","4","1","","Peterson, Paul W.; Shevchenko, Nikolay; Breiner, Boris; Manoharan, Mariappan; Lufti, Forat; Delaune, Jess; Kingsley, Margaret; Kovnir, Kirill; Alabugin, Igor V.","Orbital Crossings Activated through Electron Injection: Opening Communication between Orthogonal Orbitals in Anionic C1-C5 Cyclizations of Enediynes.","Journal of the American Chemical Society","2016","138","48","15617","15628","10.1021/jacs.6b08540","","","0.71073","MoKα","","0.0551","0.0346","","","0.082","0.0916","","","","","","1.037","","","","has coordinates,has disorder","241307","2020-10-21","18:00:00",""
"4130988","29.525","0.006","23.121","0.004","14.177","0.003","90","","103.333","0.006","90","","9417","3","100","","100","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C64 H72 Au8 F24 N30 P4 -","- C64 H72 Au8 F24 N30 P4 -","- C256 H288 Au32 F96 N120 P16 -","4","1","","Altmann, Philipp J.; Pöthig, Alexander","Pillarplexes: A Metal-Organic Class of Supramolecular Hosts.","Journal of the American Chemical Society","2016","138","40","13171","13174","10.1021/jacs.6b08571","","x-ray","0.71073","MoKα","","0.0488","0.0375","","","0.0893","0.0952","","","","","","1.034","","","","has coordinates","241308","2020-10-21","18:00:00",""
"4130989","8.6249","0.0017","14.82","0.003","10.971","0.002","90","","95.98","0.03","90","","1394.7","0.5","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","2","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.031","0.0296","","","0.0779","0.0788","","","","","","1.074","","","","has coordinates,has disorder","241310","2020-10-21","18:00:00",""
"4130990","6.1191","0.0008","11.5957","0.0014","21.292","0.002","90","","90.255","0.01","90","","1510.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C64 H84 N4 O12 S4 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.1139","0.077","","","0.178","0.1993","","","","","","1.057","","","","has coordinates","241311","2020-10-21","18:00:00",""
"4130991","28.7207","0.0009","12.1769","0.0003","10.4303","0.0003","90","","97.444","0.002","90","","3617.04","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N O3 S -","- C19 H27 N O3 S -","- C152 H216 N8 O24 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0863","0.0519","","","0.1165","0.1312","","","","","","1.032","","","","has coordinates,has disorder","241312","2020-10-21","18:00:00",""
"4130992","13.658","0.0008","5.6045","0.0003","20.168","0.0013","90","","97.722","0.004","90","","1529.79","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C64 H84 N4 O12 S4 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0584","0.0424","","","0.0939","0.1011","","","","","","1.066","","","","has coordinates,has disorder","241313","2020-10-21","18:00:00",""
"4130993","8.0648","0.0004","8.3002","0.0004","14.4327","0.0008","88.447","0.003","74.397","0.003","69.748","0.003","870.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C36 H50 N2 O6 S2 -","2","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0406","0.0339","","","0.0866","0.0907","","","","","","1.029","","","","has coordinates","241314","2020-10-21","18:00:00",""
"4130994","9.2982","0.0005","17.6122","0.0011","25.4699","0.0015","90","","90","","90","","4171","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C184 H216 N8 O32 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0911","0.0487","","","0.1015","0.1203","","","","","","1.027","","","","has coordinates,has disorder","241315","2020-10-21","18:00:00",""
"4130995","18.1147","0.0004","9.2175","0.0002","18.0021","0.0004","90","","102.909","0.0013","90","","2929.88","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0447","0.0375","","","0.101","0.1063","","","","","","1.028","","","","has coordinates,has disorder","241317","2020-10-21","18:00:00",""
"4130996","8.7899","0.0004","11.2965","0.0005","13.9729","0.0007","90","","99.078","0.004","90","","1370.06","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0848","0.0523","","","0.107","0.1196","","","","","","1.064","","","","has coordinates,has disorder","241318","2020-10-21","18:00:00",""
"4130997","6.4374","0.0008","9.2636","0.0013","32.837","0.004","90","","90.103","0.005","90","","1958.2","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","1.54178","CuKα","","0.0357","0.0344","","","0.0877","0.0893","","","","","","1.084","","","","has coordinates","241319","2020-10-21","18:00:00",""
"4130998","5.8941","0.0003","18.9753","0.001","16.8998","0.0009","90","","93.593","0.003","90","","1886.4","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.1144","0.0549","","","0.1256","0.1545","","","","","","1.014","","","","has coordinates,has disorder","241321","2020-10-21","18:00:00",""
"4130999","6.712","0.004","12.071","0.007","14.442","0.009","78.49","0.011","89.905","0.015","76.71","0.016","1114.7","1.2","100","2","293","2","","","","","","","","3","P -1","-P 1","2","Py3:PFB","","","- C52 H44 F10 -","- C52 H44 F10 -","- C52 H44 F10 -","1","0.5","","Lu, Jingzhi; Khetrapal, Navneet S.; Johnson, Jacob A.; Zeng, Xiao Cheng; Zhang, Jian","""π-Hole-π"" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer.","Journal of the American Chemical Society","2016","138","49","15805","15808","10.1021/jacs.6b08620","","","0.41328","synchrotron","","0.1675","0.1559","","","0.3785","0.3857","","","","","","3.091","","","","has coordinates","241322","2020-10-21","18:00:00",""
"4131000","6.6791","0.0006","11.778","0.0012","14.4954","0.0015","98.279","0.003","91.547","0.003","103.011","0.003","1097.36","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","Py3:HFB","","","- C52 H42 F12 -","- C52 H42 F12 -","- C52 H42 F12 -","1","0.5","","Lu, Jingzhi; Khetrapal, Navneet S.; Johnson, Jacob A.; Zeng, Xiao Cheng; Zhang, Jian","""π-Hole-π"" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer.","Journal of the American Chemical Society","2016","138","49","15805","15808","10.1021/jacs.6b08620","","","0.41328","synchrotron","","0.0992","0.091","","","0.2848","0.3028","","","","","","1.378","","","","has coordinates","241324","2020-10-21","18:00:00",""
"4131001","6.672","0.003","11.972","0.004","14.349","0.005","78.402","0.019","89.63","0.02","76.61","0.02","1091.3","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Py3:TFB","","","- C52 H46 F8 -","- C52 H46 F8 -","- C52 H46 F8 -","1","0.5","","Lu, Jingzhi; Khetrapal, Navneet S.; Johnson, Jacob A.; Zeng, Xiao Cheng; Zhang, Jian","""π-Hole-π"" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer.","Journal of the American Chemical Society","2016","138","49","15805","15808","10.1021/jacs.6b08620","","","0.41328","synchrotron","","0.1729","0.1381","","","0.329","0.3544","","","","","","1.403","","","","has coordinates","241325","2020-10-21","18:00:00",""
"4131002","16.545","0.003","5.7664","0.0011","17.656","0.003","90","","102.525","0.004","90","","1644.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","","Xu, Bin; Tambar, Uttam K.","Ligand-Controlled Regiodivergence in the Copper-Catalyzed [2,3]- and [1,2]-Rearrangements of Iodonium Ylides.","Journal of the American Chemical Society","2016","138","37","12073","12076","10.1021/jacs.6b08624","","","0.71073","MoKα","","0.0239","0.021","","","0.0451","0.0462","","","","","","1.078","","","","has coordinates","241326","2020-10-21","18:00:00",""
"4131003","20.9019","0.0019","8.624","0.0007","10.1737","0.0009","90","","90","","90","","1833.9","0.3","200","2","200","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H43 Cl2 Co N3 O2 -","- C42 H41 Cl2 Co N3 O2 -","- C84 H82 Cl4 Co2 N6 O4 -","2","0.5","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0681","0.0512","","","0.0993","0.1082","","","","","","1.027","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131004","13.6583","0.0012","13.9494","0.0013","20.992","0.0016","90","","90","","90","","3999.5","0.6","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 B Co F4 N3 O4 -","- C45 H51 B Co F4 N3 O4 -","- C180 H204 B4 Co4 F16 N12 O16 -","4","1","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0771","0.0578","","","0.1596","0.1855","","","","","","1.103","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131005","13.5048","0.0014","13.8737","0.0015","21.217","0.003","90","","90","","90","","3975.2","0.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H54 Co N3 O7 -","- C45 H54 Co N3 O7 -","- C180 H216 Co4 N12 O28 -","4","1","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0437","0.0381","","","0.0979","0.1015","","","","","","1.035","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131006","8.4175","0.0005","10.6899","0.0007","22.6411","0.0014","90","","95.127","0.002","90","","2029.1","0.2","189","2","189","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H48 Mo2 N6 O7 S8 -","- C26 H48 Mo2 N6 O7 S8 -","- C52 H96 Mo4 N12 O14 S16 -","2","0.5","","Garrett, Benjamin R.; Click, Kevin A.; Durr, Christopher B.; Hadad, Christopher M.; Wu, Yiying","[MoO(S<sub>2</sub>)<sub>2</sub>L]<sup>1-</sup> (L = picolinate or pyrimidine-2-carboxylate) Complexes as MoS<sub>x</sub>-Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution.","Journal of the American Chemical Society","2016","138","41","13726","13731","10.1021/jacs.6b08652","","","0.71073","MoKα","","0.0413","0.0286","","","0.0609","0.0667","","","","","","1.003","","","","has coordinates","241328","2020-10-21","18:00:00",""
"4131007","12.6807","0.001","12.2202","0.001","13.4341","0.001","90","","109.872","0.002","90","","1957.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Mo N2 O3 S4 -","- C14 H24 Mo N2 O3 S4 -","- C56 H96 Mo4 N8 O12 S16 -","4","1","","Garrett, Benjamin R.; Click, Kevin A.; Durr, Christopher B.; Hadad, Christopher M.; Wu, Yiying","[MoO(S<sub>2</sub>)<sub>2</sub>L]<sup>1-</sup> (L = picolinate or pyrimidine-2-carboxylate) Complexes as MoS<sub>x</sub>-Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution.","Journal of the American Chemical Society","2016","138","41","13726","13731","10.1021/jacs.6b08652","","","0.71073","MoKα","","0.0388","0.0278","","","0.0641","0.0706","","","","","","0.984","","","","has coordinates","241329","2020-10-21","18:00:00",""
"4131008","8.7409","0.0005","10.9925","0.0006","17.4245","0.001","106.582","0.004","94.206","0.005","97.026","0.005","1582.2","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H24 B2 O4 -","- C46 H24 B2 O4 -","- C92 H48 B4 O8 -","2","1","","Wang, Xiao-Ye; Wang, Xin-Chang; Narita, Akimitsu; Wagner, Manfred; Cao, Xiao-Yu; Feng, Xinliang; Müllen, Klaus","Synthesis, Structure, and Chiroptical Properties of a Double [7]Heterohelicene.","Journal of the American Chemical Society","2016","138","39","12783","12786","10.1021/jacs.6b08664","","","0.71073","MoKα","","0.0865","0.0479","","","0.1153","0.1351","","","","","","1.009","","","","has coordinates","241330","2020-10-21","18:00:00",""
"4131009","32.9726","0.001","32.9726","0.001","10.6792","0.0003","90","","90","","120","","10054.9","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C50 H37 Br O4 -","- C50 H37 Br O4 -","- C450 H333 Br9 O36 -","9","0.5","","Wang, Xiao-Ye; Wang, Xin-Chang; Narita, Akimitsu; Wagner, Manfred; Cao, Xiao-Yu; Feng, Xinliang; Müllen, Klaus","Synthesis, Structure, and Chiroptical Properties of a Double [7]Heterohelicene.","Journal of the American Chemical Society","2016","138","39","12783","12786","10.1021/jacs.6b08664","","","0.71073","MoKα","","0.1359","0.0932","","","0.2454","0.267","","","","","","1.525","","","","has coordinates,has disorder","241330","2020-10-21","18:00:00",""
"4131010","19.0058","0.0018","19.4184","0.0019","27.044","0.003","90","","90","","90","","9980.9","1.8","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C116 H106 Ag4 O4 P4 -","- C116 H94 Ag4 O4 P4 -","- C464 H376 Ag16 O16 P16 -","4","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0614","0.0485","","","0.123","0.1361","","","","","","1.119","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131011","18.753","0.003","22.105","0.004","22.412","0.004","83.449","0.003","81.184","0.003","74.146","0.003","8806","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H88 Ag4 P4 -","- C100 H88 Ag4 P4 -","- C400 H352 Ag16 P16 -","4","2","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1256","0.0901","","","0.2325","0.2944","","","","","","1.104","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131012","19.6169","0.0018","27.203","0.003","37.155","0.004","90","","90","","90","","19827","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C108 H102 Ag4 N2 P4 -","- C108 H102 Ag4 N2 P4 -","- C864 H816 Ag32 N16 P32 -","8","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0739","0.055","","","0.13","0.1469","","","","","","1.211","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131013","17.876","0.002","24.26","0.003","29.799","0.004","90","","93.058","0.003","90","","12905","3","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C146 H142 Ag3 Cu F6 O2 P7 -","- C146 H142 Ag3 Cu F6 O2 P7 -","- C584 H568 Ag12 Cu4 F24 O8 P28 -","4","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1371","0.0784","","","0.1645","0.2006","","","","","","1.084","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131014","13.6648","0.0014","15.9205","0.0018","27.74","0.003","94.708","0.002","90.237","0.002","111.692","0.002","5584.7","1","173","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C129 H111 Ag3 Cu F6 P7 -","- C129 H111 Ag3 Cu F6 P7 -","- C258 H222 Ag6 Cu2 F12 P14 -","2","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1109","0.0731","","","0.1752","0.2005","","","","","","1.062","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131015","17.29","0.002","22.473","0.002","38.287","0.004","90","","93.844","0.003","90","","14843","3","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C166 H166 Ag7 Cu F7 O1.5 P6 -","- C166 H164 Ag7 Cu F7 O1.5 P6 -","- C664 H656 Ag28 Cu4 F28 O6 P24 -","4","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1373","0.0988","","","0.246","0.2964","","","","","","1.127","","","","has coordinates,has disorder","241331","2020-10-21","18:00:00",""
"4131016","19.067","0.002","23.256","0.003","33.242","0.004","90","","97.73","0.002","90","","14606","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C146 H139 Ag7 Cl Cu O5 P5 -","- C146 H121 Ag7 Cl Cu O4 P5 -","- C584 H484 Ag28 Cl4 Cu4 O16 P20 -","4","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1114","0.0947","","","0.2202","0.2308","","","","","","1.026","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131017","17.2502","0.0014","17.4681","0.0014","22.3312","0.0018","110.625","0.002","103.643","0.002","94.745","0.002","6017.5","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H115 Ag6 Cu F6 P6 -","- C132 H103 Ag6 Cu F6 P6 -","- C264 H206 Ag12 Cu2 F12 P12 -","2","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1039","0.0874","","","0.235","0.2597","","","","","","1.093","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131018","16.1392","0.0015","18.1415","0.0017","18.8643","0.0018","64.357","0.002","67.868","0.002","83.347","0.002","4605","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C208 H198 Ag10 Cu2 F12 P8 -","- C208 H178 Ag10 Cu2 F12 P8 -","- C208 H178 Ag10 Cu2 F12 P8 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0864","0.0681","","","0.1792","0.2016","","","","","","1.07","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131019","15.5936","0.0018","16.7877","0.0018","17.1552","0.0019","112.706","0.002","98.107","0.002","93.65","0.002","4067","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C178 H160 Ag10 Cu2 F12 P8 -","- C178 H160 Ag10 Cu2 F12 P8 -","- C178 H160 Ag10 Cu2 F12 P8 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.118","0.1016","","","0.2574","0.2867","","","","","","1.083","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131020","13.1713","0.0013","15.8646","0.0015","17.2421","0.0017","101.523","0.002","111.227","0.002","90.437","0.002","3278.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H138 Ag10 Cu2 O2 P2 -","- C132 H138 Ag10 Cu2 O2 P2 -","- C132 H138 Ag10 Cu2 O2 P2 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0748","0.0705","","","0.1908","0.2008","","","","","","1.072","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131021","19.3944","0.0014","19.4536","0.0013","29.451","0.002","78.671","0.001","71.197","0.002","75.615","0.001","10106.4","1.2","173","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C416 H440 Ag20 Cu7 F18 O8 P15 -","- C416 H380 Ag20 Cu7 F18 O8 P15 -","- C416 H380 Ag20 Cu7 F18 O8 P15 -","1","0.5","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.1053","0.078","","","0.2047","0.239","","","","","","1.033","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131022","14.653","0.002","12.2834","0.0016","14.7811","0.0019","90","","99.5679","0.0019","90","","2623.4","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 Bi Si2 -","- C23 H45 Bi Si2 -","- C92 H180 Bi4 Si8 -","4","1","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0391","0.0303","","","0.069","0.0716","","","","","","1.035","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131023","12.556","0.007","26.674","0.015","8.038","0.004","90","","90","","90","","2692","3","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H46 Bi Cl Si2 -","- C23 H46 Bi Cl Si2 -","- C92 H184 Bi4 Cl4 Si8 -","4","0.5","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0467","0.0385","","","0.0868","0.0911","","","","","","1.099","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131024","8.0332","0.0012","16.222","0.002","25.418","0.004","90","","95.791","0.002","90","","3295.4","0.8","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H51 Bi O4 Si2 -","- C29 H51 Bi O4 Si2 -","- C116 H204 Bi4 O16 Si8 -","4","1","","Ishii, Takuya; Suzuki, Katsunori; Nakamura, Taichi; Yamashita, Makoto","An Isolable Bismabenzene: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2016","138","39","12787","12790","10.1021/jacs.6b08714","","","0.71075","MoKα","","0.0694","0.0571","","","0.1971","0.2032","","","","","","1.101","","","","has coordinates","241332","2020-10-21","18:00:00",""
"4131025","32.1397","0.0007","32.1397","0.0007","16.6976","0.0004","90","","90","","120","","14937.2","0.6","296","2","296","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co9 N12 O35 -","- C144 H72 Co9 N12 O35 -","- C144 H72 Co9 N12 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.0909","0.0708","","","0.2053","0.2271","","","","","","1.063","","","","has coordinates","241333","2020-10-21","18:00:00",""
"4131026","31.963","0.003","31.963","0.003","16.7135","0.0016","90","","90","","120","","14787","2","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co4.8 N12 Ni4.2 O35 -","- C144 H72 Co4.8 N12 Ni4.2 O35 -","- C144 H72 Co4.8 N12 Ni4.2 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1686","0.1526","","","0.4214","0.4375","","","","","","1.899","","","","has coordinates","241334","2020-10-21","18:00:00",""
"4131027","31.7402","0.0014","31.7402","0.0014","16.7689","0.0009","90","","90","","120","","14630.3","1.2","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 N12 Ni6 O35 -","- C144 H72 Co3 N12 Ni6 O35 -","- C144 H72 Co3 N12 Ni6 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.0902","0.072","","","0.2042","0.2255","","","","","","1.075","","","","has coordinates","241335","2020-10-21","18:00:00",""
"4131028","32.032","0.002","32.032","0.002","16.7024","0.0012","90","","90","","120","","14841.5","1.7","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mg6 N12 O35 -","- C144 H72 Co3 Mg6 N12 O35 -","- C144 H72 Co3 Mg6 N12 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1316","0.1053","","","0.3135","0.3337","","","","","","1.279","","","","has coordinates","241336","2020-10-21","18:00:00",""
"4131029","31.4689","0.001","31.4689","0.001","16.8714","0.0006","90","","90","","120","","14469.2","0.8","296","2","296","2","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Fe3 N12 Ni3 O35 -","- C144 H72 Co3 Fe3 N12 Ni3 O35 -","- C144 H72 Co3 Fe3 N12 Ni3 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.2209","0.1806","","","0.4663","0.4931","","","","","","2.021","","","","has coordinates","241337","2020-10-21","18:00:00",""
"4131030","32.032","0.002","32.032","0.002","16.7024","0.0012","90","","90","","120","","14841.5","1.7","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mg6 N12 O36.54 -","- C144 H72 Co3 Mg6 N12 O36.64 -","- C144 H72 Co3 Mg6 N12 O36.64 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.2098","0.1764","","","0.4143","0.4377","","","","","","1.718","","","","has coordinates","241338","2020-10-21","18:00:00",""
"4131031","31.35","0.002","31.35","0.002","16.9103","0.0011","90","","90","","120","","14393.2","1.6","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Fe6 N12 O37 -","- C144 H72 Co3 Fe6 N12 O37 -","- C144 H72 Co3 Fe6 N12 O37 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.2269","0.1848","","","0.4234","0.4482","","","","","","1.708","","","","has coordinates","241339","2020-10-21","18:00:00",""
"4131032","31.35","0.002","31.35","0.002","16.9103","0.0011","90","","90","","120","","14393.2","1.6","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Fe6 N12 O35 -","- C144 H72 Co3 Fe6 N12 O35 -","- C144 H72 Co3 Fe6 N12 O35 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1055","0.078","","","0.2345","0.2623","","","","","","0.997","","","","has coordinates","241340","2020-10-21","18:00:00",""
"4131033","31.848","0.008","31.848","0.008","16.883","0.005","90","","90","","120","","14830","7","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C72 H39 Mg3 N6 O16 -","- C72 H39 Mg3 N6 O16 -","- C144 H78 Mg6 N12 O32 -","2","0.0833333","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","0.71073","synchrotron","","0.1427","0.1214","","","0.3293","0.3516","","","","","","1.327","","","","has coordinates","241341","2020-10-21","18:00:00",""
"4131034","31.848","0.008","31.848","0.008","16.883","0.005","90","","90","","120","","14830","7","","","","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C72 H39 Mg3 N6 O17.83 -","- C72 H39 Mg3 N6 O17.84 -","- C144 H78 Mg6 N12 O35.68 -","2","0.0833333","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","","","","0.229","","","","","","","","","","","","","","","has coordinates","241342","2020-10-21","18:00:00",""
"4131035","32.1397","0.0007","32.1397","0.0007","16.6976","0.0004","90","","90","","120","","14937.2","0.6","296","2","296","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co9 N12 O36.56 -","- C144 H72 Co9 N12 O36.56 -","- C144 H72 Co9 N12 O36.56 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1808","0.153","","","0.3758","0.4072","","","","","","1.681","","","","has coordinates","241343","2020-10-21","18:00:00",""
"4131036","32.4771","0.0003","32.4771","0.0003","16.7559","0.0002","90","","90","","120","","15305.7","0.3","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mn6 N12 O39.45 -","- C144 H72 Co3 Mn6 N12 O39.48 -","- C144 H72 Co3 Mn6 N12 O39.48 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1731","0.1458","","","0.3581","0.3899","","","","","","1.568","","","","has coordinates","241344","2020-10-21","18:00:00",""
"4131037","31.7402","0.0014","31.7402","0.0014","16.7689","0.0009","90","","90","","120","","14630.3","1.2","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 N12 Ni6 O38.35 -","- C144 H72 Co3 N12 Ni6 O38.36 -","- C144 H72 Co3 N12 Ni6 O38.36 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1849","0.1586","","","0.3819","0.4138","","","","","","1.679","","","","has coordinates","241345","2020-10-21","18:00:00",""
"4131038","32.4771","0.0003","32.4771","0.0003","16.7559","0.0002","90","","90","","120","","15305.7","0.3","296","2","296","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C144 H72 Co3 Mn6 N12 O38 -","- C144 H72 Co3 Mn6 N12 O38 -","- C144 H72 Co3 Mn6 N12 O38 -","1","0.0416667","","Liu, Qi; Cong, Hengjiang; Deng, Hexiang","Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks.","Journal of the American Chemical Society","2016","138","42","13822","13825","10.1021/jacs.6b08724","","","1.54178","CuKα","","0.1204","0.0954","","","0.2985","0.3245","","","","","","1.286","","","","has coordinates","241346","2020-10-21","18:00:00",""
"4131039","5.78299","0.00006","12.5407","0.00014","17.36504","0.00015","90","","90","","90","","1259.36","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Cai, Aijie; Guo, Wusheng; Martínez-Rodríguez, Luis; Kleij, Arjan W.","Palladium-Catalyzed Regio- and Enantioselective Synthesis of Allylic Amines Featuring Tetrasubstituted Tertiary Carbons.","Journal of the American Chemical Society","2016","138","43","14194","14197","10.1021/jacs.6b08841","","","0.7107","MoKα","","0.0278","0.026","","","0.0787","0.0796","","","","","","1.109","","","","has coordinates,has disorder","241347","2020-10-21","18:00:00",""
"4131040","13.1532","0.0007","22.9508","0.0013","7.4256","0.0004","90","","102.08","0.002","90","","2192","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 Pd -","- C25 H23 N3 O5 Pd -","- C100 H92 N12 O20 Pd4 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.045","0.0439","","","0.1009","0.1013","","","","","","1.419","","","","has coordinates,has disorder","241348","2020-10-21","18:00:00",""
"4131041","13.718","0.003","5.1398","0.0011","24.816","0.005","90","","102.657","0.006","90","","1707.2","0.6","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O3 Pd -","- C21 H18 N2 O3 Pd -","- C84 H72 N8 O12 Pd4 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.0209","0.0201","","","0.0455","0.0459","","","","","","1.088","","","","has coordinates,has disorder","241349","2020-10-21","18:00:00",""
"4131042","13.9598","0.0008","14.3552","0.0008","9.938","0.0004","90","","90.919","0.002","90","","1991.28","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C92 H104 N8 O12 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","0.71073","MoKα","","0.0712","0.0469","","","0.1048","0.1186","","","","","","1.019","","","","has coordinates","241350","2020-10-21","18:00:00",""
"4131043","13.7635","0.0004","6.7495","0.0002","24.5387","0.0007","90","","99.39","0.001","90","","2249.02","0.11","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","1","","Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.","Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.","Journal of the American Chemical Society","2016","138","44","14705","14712","10.1021/jacs.6b08850","","x-ray","1.54178","CuKα","","0.0686","0.0654","","","0.1623","0.1645","","","","","","1.092","","","","has coordinates,has disorder","241351","2020-10-21","18:00:00",""
"4131044","16.096","0.003","8.1863","0.0017","17.391","0.004","90","","115.597","0.003","90","","2066.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(diphenylphosphaneyl)-N-(2-formylphenyl)benzamide","","- C26 H20 N O2 P -","- C26 H20 N O2 P -","- C104 H80 N4 O8 P4 -","4","1","","De Los Santos, Zeus A.; Wolf, Christian","Chiroptical Asymmetric Reaction Screening via Multicomponent Self-Assembly.","Journal of the American Chemical Society","2016","138","41","13517","13520","10.1021/jacs.6b08892","","x-ray","0.71073","MoKα","","0.0381","0.0353","","","0.0913","0.0929","","","","","","1.033","","","","has coordinates","241352","2020-10-21","18:00:00",""
"4131045","15.7448","0.0005","16.7714","0.0005","17.6503","0.0005","90","","93.892","0.001","90","","4650","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jl072","","","- C56 H53 Fe Ni O P2 -","- C56 H53 Fe Ni O P2 -","- C224 H212 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0495","0.037","","","0.0938","0.1022","","","","","","1.038","","","","has coordinates","241353","2020-10-21","18:00:00",""
"4131046","10.8021","0.0007","19.9889","0.0013","18.0037","0.0013","90","","107.071","0.004","90","","3716.1","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jl076","","","- C46 H42 Fe Ni O P2 -","- C46 H42 Fe Ni O P2 -","- C184 H168 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0419","0.0308","","","0.077","0.0811","","","","","","1.065","","","","has coordinates","241354","2020-10-21","18:00:00",""
"4131047","10.9483","0.0001","19.3974","0.0002","18.579","0.0003","90","","106.706","0.0007","90","","3779.07","0.08","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Fe Ni O P2 -","- C48 H38 Fe Ni O P2 -","- C192 H152 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0562","0.0347","","","0.0775","0.0847","","","","","","1.051","","","","has coordinates","241355","2020-10-21","18:00:00",""
"4131048","12.9031","0.0005","23.5457","0.0009","14.1418","0.0004","90","","99.891","0.002","90","","4232.6","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","'This is a disordered structure with high R-factor' 'due to an imposed 2-fold symmetry along Fe-Ni line'","","- C46 H42 Fe Ni O P2 -","- C46 H42 Fe Ni O P2 -","- C184 H168 Fe4 Ni4 O4 P8 -","4","0.5","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71069","MoKα","","0.1064","0.085","","","0.2244","0.235","","","","","","1.171","","","","has coordinates,has disorder","241356","2020-10-21","18:00:00",""
"4131049","10.8518","0.0003","20.0649","0.0006","18.0547","0.0005","90","","107.142","0.001","90","","3756.6","0.19","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jl074","","","- C46 H41 F Fe Ni O P2 -","- C46 H41 F Fe Ni O P2 -","- C184 H164 F4 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0403","0.0302","","","0.0738","0.0785","","","","","","1.054","","","","has coordinates","241357","2020-10-21","18:00:00",""
"4131050","10.8641","0.0004","19.3805","0.0006","18.5952","0.0006","90","","106.661","0.002","90","","3750.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jl071","","","- C46 H42 Fe Ni O P2 -","- C46 H42 Fe Ni O P2 -","- C184 H168 Fe4 Ni4 O4 P8 -","4","1","","Staudaher, Nicholas D.; Arif, Atta M.; Louie, Janis","Synergy between Experimental and Computational Chemistry Reveals the Mechanism of Decomposition of Nickel-Ketene Complexes.","Journal of the American Chemical Society","2016","138","42","14083","14091","10.1021/jacs.6b08897","","","0.71073","MoKα","","0.0484","0.0338","","","0.081","0.0871","","","","","","1.031","","","","has coordinates,has disorder","241358","2020-10-21","18:00:00",""
"4131051","21.2078","0.0016","5.8592","0.0004","18.1652","0.0013","90","","100.455","0.002","90","","2219.7","0.3","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O S -","- C29 H23 N O S -","- C116 H92 N4 O4 S4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","0.71073","MoKα","","0.0545","0.0393","","","0.0904","0.098","","","","","","1.05","","","","has coordinates","241359","2020-10-21","18:00:00",""
"4131052","9.412","0.0007","10.3695","0.0008","17.6799","0.0011","90","","98.188","0.005","90","","1707.9","0.2","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl F N O -","- C22 H15 Cl F N O -","- C88 H60 Cl4 F4 N4 O4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","1.54178","CuKα","","0.0546","0.0407","","","0.1032","0.1137","","","","","","1.011","","","","has coordinates","241360","2020-10-21","18:00:00",""
"4131053","12.0485","0.0003","19.1202","0.0005","5.4934","0.0001","90","","90","","90","","1265.51","0.05","147","2","147","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Le, Christine M.; Sperger, Theresa; Fu, Rui; Hou, Xiao; Lim, Yong Hwan; Schoenebeck, Franziska; Lautens, Mark","Stereoselective Synthesis of Methylene Oxindoles via Palladium(II)-Catalyzed Intramolecular Cross-Coupling of Carbamoyl Chlorides.","Journal of the American Chemical Society","2016","138","43","14441","14448","10.1021/jacs.6b08925","","","1.54178","CuKα","","0.0216","0.0213","","","0.0553","0.0555","","","","","","1.098","","","","has coordinates","241361","2020-10-21","18:00:00",""
"4131054","20.878","0.003","11.7961","0.0013","21.677","0.003","90","","110.666","0.005","90","","4995.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H65 N5 O4 -","- C58 H65 N5 O4 -","- C232 H260 N20 O16 -","4","1","","Lewis, James E. M.; Winn, Joby; Cera, Luca; Goldup, Stephen M.","Iterative Synthesis of Oligo[n]rotaxanes in Excellent Yield.","Journal of the American Chemical Society","2016","138","50","16329","16336","10.1021/jacs.6b08958","","","1.54178","CuKα","","0.1121","0.0542","","","0.1239","0.1484","","","","","","0.981","","","","has coordinates,has disorder","241362","2020-10-21","18:00:00",""
"4131055","21.3026","0.0018","12.766","0.0009","19.7821","0.001","90","","104.617","0.007","90","","5205.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 N5 O2 -","- C60 H69 N5 O2 -","- C240 H276 N20 O8 -","4","1","","Lewis, James E. M.; Winn, Joby; Cera, Luca; Goldup, Stephen M.","Iterative Synthesis of Oligo[n]rotaxanes in Excellent Yield.","Journal of the American Chemical Society","2016","138","50","16329","16336","10.1021/jacs.6b08958","","","1.54184","CuKα","","0.1702","0.1243","","","0.3919","0.4787","","","","","","1.779","","","","has coordinates,has disorder","241363","2020-10-21","18:00:00",""
"4131056","46.195","0.001","48.069","0.001","25.6424","0.0008","90","","90","","90","","56940","2","100","0.1","100","0.1","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C472 H466 Ag67 B3 P8 S32 -","- C448 H446 Ag67 B2 P8 S32 -","- C1792 H1784 Ag268 B8 P32 S128 -","4","0.5","","Alhilaly, Mohammad J.; Bootharaju, Megalamane S.; Joshi, Chakra P.; Besong, Tabot M.; Emwas, Abdul-Hamid; Juarez-Mosqueda, Rosalba; Kaappa, Sami; Malola, Sami; Adil, Karim; Shkurenko, Aleksander; Häkkinen, Hannu; Eddaoudi, Mohamed; Bakr, Osman M.","[Ag<sub>67</sub>(SPhMe<sub>2</sub>)<sub>32</sub>(PPh<sub>3</sub>)<sub>8</sub>]<sup>3+</sup>: Synthesis, Total Structure, and Optical Properties of a Large Box-Shaped Silver Nanocluster.","Journal of the American Chemical Society","2016","138","44","14727","14732","10.1021/jacs.6b09007","","","1.54178","CuKα","","0.0608","0.0544","","","0.1443","0.1518","","","","","","1.066","","","","has coordinates","241364","2020-10-21","18:00:00",""
"4131057","19.791","0.002","15.4136","0.0013","19.804","0.0019","90","","99.842","0.01","90","","5952.3","1","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 N8 O -","- C66 H82 N8 O -","- C264 H328 N32 O4 -","4","1","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","x-ray","1.54184","CuKα","","0.1494","0.0756","","","0.1915","0.2383","","","","","","0.981","","","","has coordinates","241365","2020-10-21","18:00:00",""
"4131058","24.935","0.0019","11.6577","0.0005","34.387","0.003","90","","98.459","0.008","90","","9887","1.2","140.01","0.11","140.01","0.11","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C110 H112 B2 N8 -","- C110 H112 B2 N8 -","- C440 H448 B8 N32 -","4","0.5","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","x-ray","1.54184","CuKα","","0.1783","0.0905","","","0.2568","0.3336","","","","","","1.026","","","","has coordinates,has disorder","241366","2020-10-21","18:00:00",""
"4131059","9.6841","0.0019","15.453","0.002","15.8836","0.0017","77.416","0.012","84.584","0.01","80.701","0.014","2285","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N4 -","- C27 H29 N4 -","- C108 H116 N16 -","4","2","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","","0.71073","MoKα","","0.1295","0.0674","","","0.1248","0.1545","","","","","","1.079","","","","has coordinates","241367","2020-10-21","18:00:00",""
"4131060","14.7646","0.0004","14.5195","0.0003","25.3268","0.0004","90","","90.462","0.002","90","","5429.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 B F4 N4 -","- C27 H29 B F4 N4 -","- C216 H232 B8 F32 N32 -","8","1","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","","0.715","synchrotron","","0.0605","0.0594","","","0.1493","0.1499","","","","","","1.149","","","","has coordinates","241368","2020-10-21","18:00:00",""
"4131061","20.761","0.004","14.769","0.003","21.005","0.004","90","","93.28","0.03","90","","6430","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 N4 -","- C31 H37 N4 -","- C248 H296 N32 -","8","1","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","","0.71073","MoKα","","0.1134","0.0736","","","0.1959","0.2202","","","","","","1.107","","","","has coordinates","241369","2020-10-21","18:00:00",""
"4131062","7.5879","0.0002","8.258","0.0003","30.4025","0.0009","86.541","0.003","88.545","0.002","85.128","0.003","1894.31","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H38 Cl2 N6 Pd2 S -","- C39 H38 Cl2 N6 Pd2 S -","- C78 H76 Cl4 N12 Pd4 S2 -","2","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","1.5418","CuKα","","0.0724","0.0601","","","0.1448","0.1517","","","","","","1.108","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131063","7.63334","0.00015","8.1545","0.0002","30.237","0.0006","86.418","0.0018","87.4633","0.0016","84.4809","0.0019","1868.36","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H37 Cl2 N7 Pd2 S -","- C38 H37 Cl2 N7 Pd2 S -","- C76 H74 Cl4 N14 Pd4 S2 -","2","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.0358","0.0313","","","0.0751","0.0773","","","","","","1.065","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131064","13.7979","0.0006","20.6001","0.001","15.3163","0.0007","90","","93.916","0.004","90","","4343.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H82 Cl4 N14 O Pd4 S2 -","- C90 H82 Cl4 N14 O Pd4 S2 -","- C180 H164 Cl8 N28 O2 Pd8 S4 -","2","0.5","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.7107","MoKα","","0.0403","0.0328","","","0.0822","0.0876","","","","","","1.074","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131065","8.07769","0.00012","19.4303","0.0003","27.7228","0.0005","90","","90.7589","0.0014","90","","4350.77","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl2 N6 O Pd2 S -","- C43 H48 Cl2 N6 O Pd2 S -","- C172 H192 Cl8 N24 O4 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","1.5418","CuKα","","0.0453","0.0391","","","0.1017","0.1061","","","","","","1.027","","","","has coordinates,has disorder","241370","2020-10-21","18:00:00",""
"4131066","8.1558","0.0003","18.5007","0.0009","27.9197","0.0011","90","","94.573","0.004","90","","4199.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 Cl5 N7 Pd2 S -","- C39 H38 Cl5 N7 Pd2 S -","- C156 H152 Cl20 N28 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.0452","0.0329","","","0.0656","0.0717","","","","","","1.075","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131067","8.09548","0.00014","19.5379","0.0003","27.0319","0.0004","90","","90","","90","","4275.6","0.12","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Cl4 N7 Pd2 S -","- C40 H41 Cl4 N7 Pd2 S -","- C160 H164 Cl16 N28 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.03","0.0282","","","0.0719","0.073","","","","","","1.077","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131068","13.2909","0.0005","13.2909","0.0005","14.356","0.0006","90","","90","","90","","2535.96","0.17","298","2","298","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H4 Co D4 N4 -","- C12 H4 Co D4 N4 -","- C48 H16 Co4 D16 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.03","0.027","","","0.085","0.0868","","","","","","1.149","","","","has coordinates","241371","2020-10-21","18:00:00",""
"4131069","13.2708","0.0004","13.2708","0.0004","14.3502","0.0005","90","","90","","90","","2527.27","0.14","298","2","298","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","Co(bdp)","","","- C12 H8 Co N4 -","- C12 H8 Co N4 -","- C48 H32 Co4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.0329","0.0279","","","0.081","0.0836","","","","","","1.128","","","","has coordinates","241372","2020-10-21","18:00:00",""
"4131070","13.31","0.0005","13.31","0.0005","13.9569","0.0006","90","","90","","90","","2472.55","0.17","100","2","100","","","","","","","","","5","P 43 2 2","P 4cw 2c","95","Co(F-bdp)","","","- C12 H7 Co F N4 -","- C12 H7 Co F N4 -","- C48 H28 Co4 F4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.0363","0.0297","","","0.0816","0.0844","","","","","","1.116","","","","has coordinates,has disorder","241373","2020-10-21","18:00:00",""
"4131071","20.9119","0.0096","16.5299","0.0052","6.9496","0.0012","90","","98.143","0.016","90","","2378.1","1.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(p-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.018","10.12","","","","","","","has coordinates","241374","2020-10-21","18:00:00",""
"4131072","13.2891","0.0005","13.2891","0.0005","43.2262","0.0019","90","","90","","90","","7633.8","0.5","298","2","298","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","Co(o-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C144 H72 Co12 F24 N48 -","12","1.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.8856","synchrotron","","0.0601","0.0492","","","0.1311","0.1409","","","","","","1.066","","","","has coordinates,has disorder","241375","2020-10-21","18:00:00",""
"4131073","24.687","0.009","6.6675","0.001","7.0913","0.0026","90","","92.409","0.047","90","","1166.2","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(d4-bdp)","","","- C12 H4 Co D4 N4 -","- C12 H4 Co D4 N4 -","- C48 H16 Co4 D16 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.063","9.93","","","","","","","has coordinates","241376","2020-10-21","18:00:00",""
"4131074","13.2715","0.0005","13.2715","0.0005","14.6258","0.0006","90","","90","","90","","2576.08","0.17","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","Co(p-F2-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","1","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.8856","synchrotron","","0.0393","0.0354","","","0.0909","0.0929","","","","","","1.072","","","","has coordinates","241377","2020-10-21","18:00:00",""
"4131075","24.6401","0.003","8.69621","0.0009","7.12945","0.00063","90","","90.081","0.013","90","","1527.7","0.3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Co(Me2-bdp)","","","- C14 H12 Co N4 -","- C14 H12 Co N4 -","- C56 H48 Co4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.042","7.003","","","","","","","has coordinates","241378","2020-10-21","18:00:00",""
"4131076","7.0279","0.0018","24.5205","0.0064","7.3196","0.0019","90","","111.936","0.017","90","","1170","0.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(d4-bdp)","","","- C12 H6 Co F2 N4 -","- C12 H6 Co F2 N4 -","- C48 H24 Co4 F8 N16 -","4","1","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","","0.035","8.07","","","","","","","has coordinates","241379","2020-10-21","18:00:00",""
"4131077","16.9384","0.0006","16.7454","0.0006","21.4073","0.0008","90","","90.571","0.001","90","","6071.7","0.4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N4 O3 S -","- C37 H32 N4 O3 S -","- C296 H256 N32 O24 S8 -","8","2","","Liu, Zhen; Zeng, Tian; Yang, Kin S.; Engle, Keary M.","β,γ-Vicinal Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Directed Nucleopalladation.","Journal of the American Chemical Society","2016","138","46","15122","15125","10.1021/jacs.6b09170","","x-ray","0.71073","MoKα","","0.0753","0.0513","","","0.1286","0.1452","","","","","","1.024","","","","has coordinates","241380","2020-10-21","18:00:00",""
"4131078","11.1383","0.0004","25.3721","0.0009","12.0025","0.0004","90","","116.124","0.002","90","","3045.42","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37.5 H34 Cl N3 O -","- C37.5 H34 Cl N3 O -","- C150 H136 Cl4 N12 O4 -","4","2","","Liu, Zhen; Zeng, Tian; Yang, Kin S.; Engle, Keary M.","β,γ-Vicinal Dicarbofunctionalization of Alkenyl Carbonyl Compounds via Directed Nucleopalladation.","Journal of the American Chemical Society","2016","138","46","15122","15125","10.1021/jacs.6b09170","","x-ray","1.54178","CuKα","","0.0672","0.0612","","","0.1661","0.1724","","","","","","1.075","","","","has coordinates,has disorder","241381","2020-10-21","18:00:00",""
"4131079","23.4967","0.0008","11.787","0.0004","18.4817","0.0006","90","","91.069","0.002","90","","5117.7","0.3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C47 H52 Cl2 F12 N6 O2 S2 -","- C47 H52 Cl2 F12 N6 O2 S2 -","- C188 H208 Cl8 F48 N24 O8 S8 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0522","0.0481","","","0.126","0.1296","","","","","","1.027","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131080","12.3403","0.0017","12.3403","0.0017","31.681","0.004","90","","90","","120","","4178.1","1","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C26 H26 F9 N3 O S -","- C26 H26 F9 N3 O S -","- C156 H156 F54 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0524","0.046","","","0.114","0.1196","","","","","","1.026","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131081","12.8221","0.0003","12.8221","0.0003","26.6228","0.0008","90","","90","","120","","3790.55","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C25 H25 F8 N3 O S -","- C25 H25 F8 N3 O S -","- C150 H150 F48 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0335","0.0298","","","0.0738","0.0763","","","","","","1.039","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131082","11.8419","0.0003","11.8419","0.0003","31.7379","0.0009","90","","90","","120","","3854.35","0.18","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C48 H54 F12 N6 O2 S2 -","- C48 H54 F12 N6 O2 S2 -","- C144 H162 F36 N18 O6 S6 -","3","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0417","0.037","","","0.0898","0.0931","","","","","","1.029","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131083","12.1213","0.0003","12.1213","0.0003","27.5249","0.0007","90","","90","","120","","3502.31","0.15","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C23 H27 Cl2 N3 O S -","- C23 H27 Cl2 N3 O S -","- C138 H162 Cl12 N18 O6 S6 -","6","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.027","0.0249","","","0.0602","0.0614","","","","","","1.031","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131084","11.0829","0.0002","19.9964","0.0004","25.5461","0.0005","90","","90","","90","","5661.48","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H58 F12 N6 O2 S2 -","- C58 H58 F12 N6 O2 S2 -","- C232 H232 F48 N24 O8 S8 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.07","0.0645","","","0.1696","0.1756","","","","","","1.043","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131085","10.7752","0.0006","14.8782","0.0008","13.3651","0.0007","90","","95.51","0.003","90","","2132.7","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H43 Cl F12 N6 O2 S2 -","- C34.5 H43 Cl F12 N6 O2 S2 -","- C69 H86 Cl2 F24 N12 O4 S4 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0683","0.0564","","","0.1488","0.1595","","","","","","1.042","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131086","14.9664","0.0001","23.1875","0.0002","25.2512","0.0002","90","","97.29","","90","","8692.17","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C153 H144 F42 N18 O18 S6 -","- C153 H144 F42 N18 O18 S6 -","- C306 H288 F84 N36 O36 S12 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0828","0.0719","","","0.1651","0.172","","","","","","1.046","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131087","9.7864","0.0003","9.7864","0.0003","13.161","0.0005","90","","90","","90","","1260.48","0.07","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0246","0.0242","","","0.0627","0.0631","","","","","","1.082","","","","has coordinates","241382","2020-10-21","18:00:00",""
"4131088","25.197","0.003","25.197","0.003","26.498","0.003","90","","90","","120","","14569","3","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C124 H132 Cl2 F28 N14 O12 S4 -","- C124 H132 Cl2 F28 N14 O12 S4 -","- C372 H396 Cl6 F84 N42 O36 S12 -","3","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.113","0.0871","","","0.2144","0.2267","","","","","","1.082","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131089","9.5124","0.0006","11.6095","0.0007","10.1757","0.0006","90","","97.068","0.004","90","","1115.21","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 F N2 O3 -","- C23 H33 F N2 O3 -","- C46 H66 F2 N4 O6 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0295","0.0279","","","0.0687","0.07","","","","","","1.043","","","","has coordinates","241382","2020-10-21","18:00:00",""
"4131090","10.8045","0.0015","14.937","0.002","13.3271","0.0018","90","","94.461","0.002","90","","2144.3","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H44 Cl2 F12 N6 O2 S2 -","- C35 H44 Cl2 F12 N6 O2 S2 -","- C70 H88 Cl4 F24 N12 O4 S4 -","2","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0597","0.0522","","","0.1458","0.1518","","","","","","1.054","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131091","7.4063","0.0002","20.7172","0.0005","24.9402","0.0006","90","","90","","90","","3826.77","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 F12 N6 O4 -","- C34 H42 F12 N6 O4 -","- C136 H168 F48 N24 O16 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0308","0.0299","","","0.0799","0.0808","","","","","","1.049","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131092","14.5322","0.0004","7.4157","0.0002","18.1873","0.0005","90","","102.484","0.002","90","","1913.64","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 F6 N3 O2 -","- C17 H21 F6 N3 O2 -","- C68 H84 F24 N12 O8 -","4","2","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0492","0.0468","","","0.1188","0.1207","","","","","","1.068","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4131093","14.3464","0.0002","14.3464","0.0002","28.5097","0.0004","90","","90","","120","","5081.7","0.12","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C64 H70 Cl F14 N7 O6 S2 -","- C64 H70 Cl F14 N7 O6 S2 -","- C192 H210 Cl3 F42 N21 O18 S6 -","3","0.5","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0331","0.0311","","","0.079","0.0806","","","","","","1.062","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131094","15.7617","0.0003","15.7617","0.0003","23.1201","0.0005","90","","90","","90","","5743.8","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H66 Cl F12 N7 O2 S2 -","- C54 H66 Cl F12 N7 O2 S2 -","- C216 H264 Cl4 F48 N28 O8 S8 -","4","0.5","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.0667","0.0571","","","0.1431","0.1531","","","","","","1.069","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131095","9.1227","0.0006","12.7639","0.0008","12.5204","0.0009","90","","93.258","0.006","90","","1455.53","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Cl6 N2 Sb -","- C24 H36 Cl6 N2 Sb -","- C48 H72 Cl12 N4 Sb2 -","2","0.5","","Wang, Denan; Talipov, Marat R.; Ivanov, Maxim V.; Rathore, Rajendra","Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor-Bridge-Donor Wires.","Journal of the American Chemical Society","2016","138","50","16337","16344","10.1021/jacs.6b09209","","x-ray","1.54184","CuKα","","0.0675","0.0555","","","0.141","0.1507","","","","","","1.025","","","","has coordinates","241383","2020-10-21","18:00:00",""
"4131096","17.7621","0.0003","22.2461","0.0004","27.0076","0.0004","66.1403","0.0016","79.782","0.0013","83.1039","0.0013","9591.1","0.3","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 N2 -","- C24 H36 N2 -","- C432 H648 N36 -","18","9","","Wang, Denan; Talipov, Marat R.; Ivanov, Maxim V.; Rathore, Rajendra","Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor-Bridge-Donor Wires.","Journal of the American Chemical Society","2016","138","50","16337","16344","10.1021/jacs.6b09209","","x-ray","1.54184","CuKα","","0.1182","0.1082","","","0.3071","0.3323","","","","","","1.472","","","","has coordinates,has disorder","241384","2020-10-21","18:00:00",""
"4131097","9.989","0.0019","11.211","0.002","13.316","0.003","87.303","0.003","75.592","0.003","77.986","0.003","1412.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 N6 O2 S3 Zn -","- C27 H30 N6 O2 S3 Zn -","- C54 H60 N12 O4 S6 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0716","0.0435","","","0.0957","0.1063","","","","","","1.058","","","","has coordinates","241385","2020-10-21","18:00:00",""
"4131098","9.4115","0.0006","13.1229","0.0009","14.5918","0.001","90","","98.222","0.001","90","","1783.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br N6 S3 Zn -","- C13 H15 Br N6 S3 Zn -","- C52 H60 Br4 N24 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0484","0.0319","","","0.0755","0.0822","","","","","","1.019","","","","has coordinates","241386","2020-10-21","18:00:00",""
"4131099","9.616","0.005","11.126","0.005","13.498","0.006","95.167","0.007","106.067","0.007","97.479","0.007","1363.8","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 N6 S3 Se Zn -","- C19 H20 N6 S3 Se Zn -","- C38 H40 N12 S6 Se2 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0788","0.0482","","","0.1333","0.1426","","","","","","1.058","","","","has coordinates","241387","2020-10-21","18:00:00",""
"4131100","11.307","0.004","13.657","0.004","13.962","0.004","68.636","0.004","69.584","0.005","70.758","0.005","1830.4","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 N7 O S3 Zn -","- C14 H15 N7 O S3 Zn -","- C56 H60 N28 O4 S12 Zn4 -","4","2","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1234","0.0513","","","0.0759","0.0933","","","","","","1.001","","","","has coordinates","241389","2020-10-21","18:00:00",""
"4131101","24.036","0.002","12.8658","0.0012","18.2274","0.0017","90","","129.726","0.0014","90","","4335.2","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N6 O S3 Si Zn -","- C16 H24 N6 O S3 Si Zn -","- C128 H192 N48 O8 S24 Si8 Zn8 -","8","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1017","0.0586","","","0.1351","0.1514","","","","","","1.046","","","","has coordinates","241390","2020-10-21","18:00:00",""
"4131102","13.576","0.004","8.775","0.002","18.498","0.005","90","","101.232","0.004","90","","2161.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N6 O S3 Zn -","- C19 H20 N6 O S3 Zn -","- C76 H80 N24 O4 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0538","0.0371","","","0.0966","0.1033","","","","","","1.216","","","","has coordinates","241391","2020-10-21","18:00:00",""
"4131103","9.429","0.002","11.149","0.003","13.582","0.003","95.951","0.004","106.456","0.004","96.721","0.004","1345.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N6 S4 Zn -","- C19 H20 N6 S4 Zn -","- C38 H40 N12 S8 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0572","0.0382","","","0.0877","0.0935","","","","","","1.027","","","","has coordinates,has disorder","241392","2020-10-21","18:00:00",""
"4131104","10.137","0.002","11.868","0.003","18.978","0.004","90","","99.563","0.003","90","","2251.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N6 O S3 Zn -","- C20 H22 N6 O S3 Zn -","- C80 H88 N24 O4 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0643","0.0372","","","0.0894","0.1039","","","","","","0.938","","","","has coordinates","241393","2020-10-21","18:00:00",""
"4131105","12.867","0.003","13.368","0.003","14.404","0.004","79.32","0.004","69.456","0.004","75.417","0.004","2232.4","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 N7 O3 S3 Zn -","- C19 H19 N7 O3 S3 Zn -","- C76 H76 N28 O12 S12 Zn4 -","4","2","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1282","0.0645","","","0.1239","0.1471","","","","","","1.029","","","","has coordinates","241394","2020-10-21","18:00:00",""
"4131106","9.603","0.002","12.978","0.003","14.646","0.004","90","","98.568","0.004","90","","1804.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 I N6 S3 Zn -","- C13 H15 I N6 S3 Zn -","- C52 H60 I4 N24 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1506","0.0594","","","0.0797","0.0997","","","","","","1.011","","","","has coordinates","241395","2020-10-21","18:00:00",""
"4131107","12.8684","0.0012","13.0973","0.0012","15.5044","0.0014","72.506","0.001","85.102","0.001","62.559","0.001","2207.5","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H19.5 Cl N6 S3 Zn -","- C17.5 H19.5 Cl N6 S3 Zn -","- C70 H78 Cl4 N24 S12 Zn4 -","4","2","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0915","0.0464","","","0.116","0.1356","","","","","","1.032","","","","has coordinates","241396","2020-10-21","18:00:00",""
"4131108","9.113","0.003","9.909","0.003","14.006","0.004","100.325","0.004","95.142","0.005","95.111","0.005","1232.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 N6 O2 S3 Zn -","- C23 H23 N6 O2 S3 Zn -","- C46 H46 N12 O4 S6 Zn2 -","2","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1129","0.0638","","","0.1601","0.1872","","","","","","1.045","","","","has coordinates","241397","2020-10-21","18:00:00",""
"4131109","15.339","0.002","8.7461","0.0011","17.822","0.002","90","","103.034","0.002","90","","2329.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N6 O S3 Zn -","- C19 H19 Br N6 O S3 Zn -","- C76 H76 Br4 N24 O4 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.1109","0.0487","","","0.0973","0.1179","","","","","","1.045","","","","has coordinates","241398","2020-10-21","18:00:00",""
"4131110","11.669","0.0011","12.4246","0.0012","12.6995","0.0013","90","","100.342","0.001","90","","1811.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N6 S3 Zn -","- C14 H18 N6 S3 Zn -","- C56 H72 N24 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0548","0.0366","","","0.0855","0.0927","","","","","","1.175","","","","has coordinates","241399","2020-10-21","18:00:00",""
"4131111","14.933","0.002","10.2002","0.0016","15.577","0.003","90","","106.158","0.002","90","","2279","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N6 O2 S3 Zn -","- C20 H22 N6 O2 S3 Zn -","- C80 H88 N24 O8 S12 Zn4 -","4","1","","Ruccolo, Serge; Sattler, Wesley; Rong, Yi; Parkin, Gerard","Modulation of Zn-C Bond Lengths Induced by Ligand Architecture in Zinc Carbatrane Compounds.","Journal of the American Chemical Society","2016","138","44","14542","14545","10.1021/jacs.6b09250","","","0.71073","MoKα","","0.0688","0.0401","","","0.087","0.0986","","","","","","1.027","","","","has coordinates","241400","2020-10-21","18:00:00",""
"4131112","6.5319","0.0008","11.448","0.001","16.5428","0.0013","75.624","0.007","83.288","0.009","87.885","0.009","1190","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","13(H2O)2(Cl)2","","","- C25 H24 Cl2 N4 O2 -","- C25 H24 Cl2 N4 O2 -","- C50 H48 Cl4 N8 O4 -","2","1","","Kahlfuss, Christophe; Denis-Quanquin, Sandrine; Calin, Nathalie; Dumont, Elise; Garavelli, Marco; Royal, Guy; Cobo, Saioa; Saint-Aman, Eric; Bucher, Christophe","Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers.","Journal of the American Chemical Society","2016","138","46","15234","15242","10.1021/jacs.6b09311","","","1.54184","CuKα","","0.0954","0.0839","","","0.2112","0.2332","","","","","","1.046","","","","has coordinates","241401","2020-10-21","18:00:00",""
"4131113","6.2739","0.0002","14.8717","0.0004","12.5805","0.0004","90","","101.478","0.003","90","","1150.33","0.06","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Kahlfuss, Christophe; Denis-Quanquin, Sandrine; Calin, Nathalie; Dumont, Elise; Garavelli, Marco; Royal, Guy; Cobo, Saioa; Saint-Aman, Eric; Bucher, Christophe","Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers.","Journal of the American Chemical Society","2016","138","46","15234","15242","10.1021/jacs.6b09311","","","0.71073","MoKα","","0.0771","0.0525","","","0.1169","0.1292","","","","","","1.07","","","","has coordinates","241402","2020-10-21","18:00:00",""
"4131114","5.3148","0.0002","13.4163","0.0004","19.5434","0.0006","90","","94.984","0.003","90","","1388.27","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8","","","- C13 H14 I N O2 -","- C13 H14 I N O2 -","- C52 H56 I4 N4 O8 -","4","1","","Kahlfuss, Christophe; Denis-Quanquin, Sandrine; Calin, Nathalie; Dumont, Elise; Garavelli, Marco; Royal, Guy; Cobo, Saioa; Saint-Aman, Eric; Bucher, Christophe","Electron-Triggered Metamorphism in Porphyrin-Based Self-Assembled Coordination Polymers.","Journal of the American Chemical Society","2016","138","46","15234","15242","10.1021/jacs.6b09311","","","0.71073","MoKα","","0.0409","0.0309","","","0.0616","0.0667","","","","","","1.039","","","","has coordinates","241403","2020-10-21","18:00:00",""
"4131115","25.379","0.0012","15.128","0.0007","19.87","0.001","90","","94.727","0.004","90","","7602.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";TbNC@C2v(9)-C82/Ni(OEP)/2benzene;","","","- C131 H56 N5 Ni Tb -","- C131 H56 N5 Ni Tb1.001 -","- C524 H224 N20 Ni4 Tb4.004 -","4","0.5","","Liu, Fupin; Gao, Cong-Li; Deng, Qingming; Zhu, Xianjun; Kostanyan, Aram; Westerström, Rasmus; Wang, Song; Tan, Yuan-Zhi; Tao, Jun; Xie, Su-Yuan; Popov, Alexey A.; Greber, Thomas; Yang, Shangfeng","Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism.","Journal of the American Chemical Society","2016","138","44","14764","14771","10.1021/jacs.6b09329","","","1.54184","CuKα","","0.1928","0.1386","","","0.3759","0.4197","","","","","","1.575","","","","has coordinates,has disorder","241404","2020-10-21","18:00:00",""
"4131116","25.3335","0.0014","15.0135","0.0011","19.863","0.0013","90","","93.987","0.006","90","","7536.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12",";TbNC@Cs(6)-C82/Ni(OEP)/2benzene;","","","- C131 H56 N5 Ni Tb -","- C131 H56 N5 Ni Tb1.0017 -","- C524 H224 N20 Ni4 Tb4.0068 -","4","0.5","","Liu, Fupin; Gao, Cong-Li; Deng, Qingming; Zhu, Xianjun; Kostanyan, Aram; Westerström, Rasmus; Wang, Song; Tan, Yuan-Zhi; Tao, Jun; Xie, Su-Yuan; Popov, Alexey A.; Greber, Thomas; Yang, Shangfeng","Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism.","Journal of the American Chemical Society","2016","138","44","14764","14771","10.1021/jacs.6b09329","","","1.54178","CuKα","","0.1473","0.101","","","0.2512","0.3004","","","","","","1.035","","","","has coordinates,has disorder","241405","2020-10-21","18:00:00",""
"4131117","8.3113","0.0003","11.2268","0.0005","9.8191","0.0004","90","","111.642","0.002","90","","851.63","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 O P -","- C18 H23 O P -","- C36 H46 O2 P2 -","2","1","","Beaud, Rodolphe; Phipps, Robert J.; Gaunt, Matthew J.","Enantioselective Cu-Catalyzed Arylation of Secondary Phosphine Oxides with Diaryliodonium Salts toward the Synthesis of P-Chiral Phosphines.","Journal of the American Chemical Society","2016","138","40","13183","13186","10.1021/jacs.6b09334","","","0.71073","MoKα","","0.0501","0.0406","","","0.0861","0.093","","","","","","1.061","","","","has coordinates","241406","2020-10-21","18:00:00",""
"4131118","13.9614","0.0004","15.5727","0.0005","18.4333","0.0006","79.5333","0.0016","74.5056","0.0016","82.7214","0.0017","3784.8","0.2","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C148 H148 Cl4 N14 -","- C148 H148 Cl4 N14 -","- C148 H148 Cl4 N14 -","1","0.5","","Benson, Christopher R.; Fatila, Elisabeth M.; Lee, Semin; Marzo, Matthew G.; Pink, Maren; Mills, Michelle B.; Preuss, Kathryn E.; Flood, Amar H.","Extreme Stabilization and Redox Switching of Organic Anions and Radical Anions by Large-Cavity, CH Hydrogen-Bonding Cyanostar Macrocycles.","Journal of the American Chemical Society","2016","138","45","15057","15065","10.1021/jacs.6b09459","","","0.71073","MoKα","","0.1776","0.1507","","","0.4617","0.4845","","","","","","2.069","","","","has coordinates,has disorder","241408","2020-10-21","18:00:00",""
"4131119","4.5174","0.0002","6.8284","0.0004","15.9328","0.0008","90","","92.4936","0.0017","90","","491.01","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 F O3 -","- C11 H11 F O3 -","- C22 H22 F2 O6 -","2","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0338","0.0326","","","0.0843","0.0857","","","","","","1.038","","","","has coordinates","241409","2020-10-21","18:00:00",""
"4131120","4.486","0.0002","6.8678","0.0003","27.2439","0.0011","90","","90","","90","","839.36","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F O2 -","- C10 H9 F O2 -","- C40 H36 F4 O8 -","4","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0258","0.0245","","","0.0631","0.065","","","","","","1.08","","","","has coordinates","241410","2020-10-21","18:00:00",""
"4131121","21.6152","0.0006","4.3127","0.0001","14.1504","0.0004","90","","123.392","0.0009","90","","1101.35","0.05","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H12 Cl F O2 -","- C12 H12 Cl F O2 -","- C48 H48 Cl4 F4 O8 -","4","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0223","0.0221","","","0.0586","0.0592","","","","","","1.076","","","","has coordinates","241411","2020-10-21","18:00:00",""
"4131122","9.313","0.004","28.127","0.011","12.193","0.005","90","","102.813","0.015","90","","3114","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Mn N5 O2 -","- C32 H46 Mn N5 O2 -","- C128 H184 Mn4 N20 O8 -","4","1","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","0.71073","MoKα","","0.094","0.0778","","","0.1681","0.1737","","","","","","1.267","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131123","13.6564","0.0002","26.8457","0.0004","24.505","0.0004","90","","90.32","0.001","90","","8983.8","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H34 F6 Mn N3 O2 -","- C30 H34 F6 Mn N3 O2 -","- C360 H408 F72 Mn12 N36 O24 -","12","6","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","1.54178","CuKα","","0.0646","0.0514","","","0.1223","0.1292","","","","","","0.976","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131124","17.4875","0.0014","10.1425","0.0009","24.385","0.002","90","","108.629","0.002","90","","4098.5","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 Cl2 F6 Mn N2 O2 Sb -","- C37 H54 Cl2 F6 Mn N2 O2 Sb -","- C148 H216 Cl8 F24 Mn4 N8 O8 Sb4 -","4","1","","Clarke, Ryan M.; Storr, Tim","Tuning Electronic Structure To Control Manganese Nitride Activation.","Journal of the American Chemical Society","2016","138","47","15299","15302","10.1021/jacs.6b09576","","","0.71073","MoKα","","0.0513","0.0461","","","0.1026","0.1059","","","","","","1.051","","","","has coordinates,has disorder","241412","2020-10-21","18:00:00",""
"4131125","8.28575","0.00009","5.58198","0.00005","17.4221","0.0002","90","","103.183","0.0012","90","","784.551","0.015","100.1","0.2","100.1","0.2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H18 -","- C22 H18 -","- C44 H36 -","2","1","","Chu, Wen-Dao; Zhang, Lei; Zhang, Zhikun; Zhou, Qi; Mo, Fanyang; Zhang, Yan; Wang, Jianbo","Enantioselective Synthesis of Trisubstituted Allenes via Cu(I)-Catalyzed Coupling of Diazoalkanes with Terminal Alkynes.","Journal of the American Chemical Society","2016","138","44","14558","14561","10.1021/jacs.6b09674","","","1.54184","CuKα","","0.0431","0.0429","","","0.1175","0.1178","","","","","","1.041","","","","has coordinates","241413","2020-10-21","18:00:00",""
"4131126","17.7258","0.0008","26.2139","0.0013","34.8331","0.0017","101.908","0.002","103.234","0.002","108.766","0.002","14213.2","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Br3 N9 O3 Si -","- C42 H46 Br3 N9 O3 Si -","- C504 H552 Br36 N108 O36 Si12 -","12","6","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1425","0.0703","","","0.1556","0.1852","","","","","","1.017","","","","has coordinates,has disorder","241414","2020-10-21","18:00:00",""
"4131127","14.396","0.005","18.043","0.005","18.682","0.005","64.501","0.008","80.167","0.008","81.53","0.009","4301","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Br2 N6 O6 -","- C36 H40 Br2 N6 O6 -","- C144 H160 Br8 N24 O24 -","4","2","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1533","0.0745","","","0.1751","0.2069","","","","","","0.967","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4131128","9.4581","0.0003","9.4581","0.0003","26.7583","0.0008","90","","90","","120","","2072.99","0.11","100","","100","","","","","","","","","5","P 65","P 65","170","","","","- C11 H13 F3 N4 O3 -","- C11 H13 F3 N4 O3 -","- C66 H78 F18 N24 O18 -","6","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","1.54178","CuKα","","0.0223","0.0221","","","0.0537","0.0538","","","","","","1.056","","","","has coordinates","241416","2020-10-21","18:00:00",""
"4131129","7.1915","0.0006","9.9207","0.0008","10.5906","0.0008","70.333","0.002","77.849","0.003","73.65","0.003","677.11","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C26 H38 N6 O4 -","2","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.0458","0.0403","","","0.1044","0.111","","","","","","1.046","","","","has coordinates","241417","2020-10-21","18:00:00",""
"4131130","10.2153","0.0002","11.9013","0.0002","14.8471","0.0003","89.378","0.001","70.049","0.001","72.258","0.001","1607.25","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Br3 N4 O4 -","- C34 H33 Br3 N4 O4 -","- C68 H66 Br6 N8 O8 -","2","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","1.54178","CuKα","","0.0436","0.0329","","","0.0787","0.0828","","","","","","1.097","","","","has coordinates","241418","2020-10-21","18:00:00",""
"4131131","10.6841","0.0005","31.5826","0.0016","9.5285","0.0005","90","","97.09","0.002","90","","3190.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 N4 O4 -","- C33 H32 N4 O4 -","- C132 H128 N16 O16 -","4","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","0.71073","MoKα","","0.0761","0.0556","","","0.1421","0.1528","","","","","","1.035","","","","has coordinates","241419","2020-10-21","18:00:00",""
"4131132","5.303","0.002","31.07","0.014","19.443","0.009","90","","90.324","0.011","90","","3203","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Br2 N5 O4 -","- C32 H35 Br2 N5 O4 -","- C128 H140 Br8 N20 O16 -","4","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","0.71073","MoKα","","0.0568","0.0362","","","0.0766","0.084","","","","","","1.023","","","","has coordinates","241420","2020-10-21","18:00:00",""
"4131133","6.1564","0.001","15.59","0.003","17.998","0.003","102.075","0.006","93.922","0.004","101.361","0.004","1645.2","0.5","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C32 H35 Br2 N5 O4 -","- C32 H35 Br2 N5 O4 -","- C64 H70 Br4 N10 O8 -","2","2","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","x-ray","0.71073","MoKα","","0.1058","0.0699","","","0.1437","0.1596","","","","","","1.08","","","","has coordinates","241421","2020-10-21","18:00:00",""
"4131134","13.0769","0.0004","9.1858","0.0002","17.9242","0.0006","90","","97.552","0.001","90","","2134.41","0.11","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br N2 O4 S -","- C21 H23 Br N2 O4 S -","- C84 H92 Br4 N8 O16 S4 -","4","1","","Tian, Maoqun; Yan, Ming; Baran, Phil S.","11-Step Total Synthesis of Araiosamines.","Journal of the American Chemical Society","2016","138","43","14234","14237","10.1021/jacs.6b09701","","","0.71073","MoKα","","0.0393","0.0292","","","0.0685","0.0733","","","","","","1.023","","","","has coordinates","241422","2020-10-21","18:00:00",""
"4131135","33.6473","0.0015","33.6473","0.0015","33.6473","0.0015","90","","90","","90","","38093","3","100","2","100","2","","","","","","","","8","P n -3 :2","-P 2ab 2bc 3","201","","","","- C214.51 H260.49 Cl15.22 Hg7.61 N5.98 O47 S36 Zr6 -","- C214.52 H260.499 Cl15.216 Hg7.608 N5.9862 O47 S36 Zr6 -","- C858.082 H1042 Cl60.864 Hg30.432 N23.9448 O188 S144 Zr24 -","4","0.166667","","Hou, Yun-Long; Yee, Ka-Kit; Wong, Yan-Lung; Zha, Meiqin; He, Jun; Zeller, Matthias; Hunter, Allen D.; Yang, Kaiqi; Xu, Zhengtao","Metalation Triggers Single Crystalline Order in a Porous Solid.","Journal of the American Chemical Society","2016","138","45","14852","14855","10.1021/jacs.6b09763","","","0.71073","MoKα","","0.2185","0.128","","","0.3212","0.3957","","","","","","1.053","","","","has coordinates,has disorder","241423","2020-10-21","18:00:00",""
"4131136","18.536","0.012","10.609","0.007","14.294","0.009","90","","110.734","0.007","90","","2629","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B2 Co F8 N6 -","- C22 H24 B2 Co F8 N6 -","- C88 H96 B8 Co4 F32 N24 -","4","1","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0381","0.0304","","","0.0808","0.0858","","","","","","1.021","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131137","11.591","0.003","15.037","0.004","19.998","0.005","90.464","0.003","103.773","0.003","111.089","0.003","3141.6","1.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl2 Co N4 O2 -","- C18 H18 Cl1.99967 Co N4 O2.00067 -","- C108 H108 Cl11.998 Co6 N24 O12.004 -","6","3","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0949","0.0721","","","0.183","0.2003","","","","","","1.035","","","","has coordinates,has disorder","241424","2020-10-21","18:00:00",""
"4131138","12.394","0.003","12.394","0.003","12.394","0.003","90","","90","","90","","1903.9","0.8","110","2","110","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H18 Cl2 Co N4 -","- C18 H18 Cl2 Co N4 -","- C72 H72 Cl8 Co4 N16 -","4","0.333333","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0246","0.022","","","0.0485","0.0496","","","","","","1.088","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131139","11.7529","0.0004","15.0871","0.0005","20.3","0.0007","90.776","0.001","102.873","0.001","110.796","0.001","3263.46","0.19","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br2 Co N4 O2 -","- C18 H18 Br1.99933 Co N4 O2 -","- C108 H108 Br11.996 Co6 N24 O12 -","6","3","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","1.54178","CuKα","","0.0805","0.0685","","","0.1817","0.1951","","","","","","1.059","","","","has coordinates,has disorder","241424","2020-10-21","18:00:00",""
"4131140","12.626","0.004","12.626","0.004","12.626","0.004","90","","90","","90","","2012.8","1.1","110","2","110","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H18 Br2 Co N4 -","- C18 H18 Br2 Co N4 -","- C72 H72 Br8 Co4 N16 -","4","0.333333","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0333","0.0279","","","0.0626","0.0647","","","","","","1.066","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131141","9.571","0.0014","14.259","0.002","16.834","0.003","114.841","0.002","100.24","0.002","91.62","0.002","2037.9","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Co I2 N4 -","- C18 H18 Co I2 N4 -","- C72 H72 Co4 I8 N16 -","4","2","","Woods, Toby J.; Ballesteros-Rivas, María F; Gómez-Coca, Silvia; Ruiz, Eliseo; Dunbar, Kim R.","Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations.","Journal of the American Chemical Society","2016","138","50","16407","16416","10.1021/jacs.6b10154","","","0.71073","MoKα","","0.0525","0.0417","","","0.101","0.1061","","","","","","1.094","","","","has coordinates","241424","2020-10-21","18:00:00",""
"4131142","11.5137","0.0014","24.454","0.003","17.944","0.002","90","","99.287","0.005","90","","4986","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SY3-297","hartwig118","","- C45 H78 O6 P2 Pd2 -","- C45 H78 O6 P2 Pd2 -","- C180 H312 O24 P8 Pd8 -","4","1","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0444","0.035","","","0.0742","0.081","","","","","","1.183","","","","has coordinates","241425","2020-10-21","18:00:00",""
"4131143","7.5173","0.0003","24.0717","0.0009","8.7398","0.0003","90","","108.162","0.002","90","","1502.71","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sy3-052","hartwig115","","- C30 H50 O2 P2 Pd -","- C30 H50 O2 P2 Pd -","- C60 H100 O4 P4 Pd2 -","2","0.5","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0297","0.0258","","","0.0579","0.0593","","","","","","1.086","","","","has coordinates","241426","2020-10-21","18:00:00",""
"4131144","13.992","0.0006","15.0661","0.0007","15.6337","0.0007","118.564","0.002","91.606","0.002","113.393","0.002","2557.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","SY4-140","hartwig130","","- C28 H27 Ag F O4 P -","- C28 H27 Ag F O4 P -","- C112 H108 Ag4 F4 O16 P4 -","4","2","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0531","0.0408","","","0.0968","0.1038","","","","","","1.046","","","","has coordinates","241427","2020-10-21","18:00:00",""
"4131145","13.2722","0.0009","18.5465","0.0013","12.5552","0.0009","90","","112.916","0.003","90","","2846.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SY3-172","hartwig110","","- C29 H43 O3 P Pd -","- C29 H43 O3 P Pd -","- C116 H172 O12 P4 Pd4 -","4","1","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0306","0.0267","","","0.0582","0.0612","","","","","","1.161","","","","has coordinates","241428","2020-10-21","18:00:00",""
"4131146","17.5862","0.0005","10.1733","0.0003","24.2763","0.0008","90","","96.715","0.002","90","","4313.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SY4-032","hartwig121","","- C20 H34 Ag O3 P -","- C20 H34 Ag O3 P -","- C160 H272 Ag8 O24 P8 -","8","2","","Lee, Sarah Yunmi; Hartwig, John F.","Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.","Journal of the American Chemical Society","2016","138","46","15278","15284","10.1021/jacs.6b10220","","","0.71073","MoKα","","0.0695","0.053","","","0.1065","0.1139","","","","","","1.053","","","","has coordinates,has disorder","241429","2020-10-21","18:00:00",""
"4131147","37.6207","0.0017","10.4388","0.0006","15.9363","0.0009","90","","90.951","0.003","90","","6257.6","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 B9 F4 Ir N3 -","- C30 H29 B9 F4 Ir N3 -","- C240 H232 B72 F32 Ir8 N24 -","8","1","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","","0.71073","MoKα","","0.0608","0.0357","","","0.063","0.0696","","","","","","0.967","","","","has coordinates","241430","2020-10-21","18:00:00",""
"4131148","16.2061","0.0013","12.6835","0.0009","16.3956","0.001","90","","92.385","0.005","90","","3367.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 B9 Cl2 F4 Ir N3 -","- C30 H29 B9 Cl2 F4 Ir N3 -","- C120 H116 B36 Cl8 F16 Ir4 N12 -","4","1","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","","0.71073","MoKα","","0.0689","0.0497","","","0.1086","0.1195","","","","","","1.0784","","","","has coordinates","241430","2020-10-21","18:00:00",""
"4131149","12.823","0.002","13.237","0.002","18.56","0.003","77.255","0.005","82.784","0.005","83.833","0.005","3038","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30.25 H33.5 B9 Cl0.5 Ir N3 -","- C30.25 H33.5 B9 Cl0.5 Ir N3 -","- C121 H134 B36 Cl2 Ir4 N12 -","4","2","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","","0.71073","MoKα","","0.0278","0.023","","","0.0561","0.0591","","","","","","1.028","","","","has coordinates,has disorder","241430","2020-10-21","18:00:00",""
"4131150","12.8325","0.001","13.1926","0.0009","17.1543","0.0011","90","","104.348","0.003","90","","2813.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 B9 Ir N3 -","- C29 H31 B9 Ir N3 -","- C116 H124 B36 Ir4 N12 -","4","1","","Axtell, Jonathan C.; Kirlikovali, Kent O.; Djurovich, Peter I.; Jung, Dahee; Nguyen, Vinh T.; Munekiyo, Brian; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","Blue Phosphorescent Zwitterionic Iridium(III) Complexes Featuring Weakly Coordinating nido-Carborane-Based Ligands.","Journal of the American Chemical Society","2016","138","48","15758","15765","10.1021/jacs.6b10232","","x-ray","0.71073","MoKα","","0.0455","0.0312","","","0.0671","0.0734","","","","","","1.064","","","","has coordinates","241430","2020-10-21","18:00:00",""
"4131151","12.636","0.003","12.616","0.003","23.911","0.005","90","","90","","90","","3811.8","1.5","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 F3 N2 O3 -","- C21 H15 F3 N2 O3 -","- C168 H120 F24 N16 O24 -","8","2","","Douki, Kazuya; Ono, Hiroyuki; Taniguchi, Tohru; Shimokawa, Jun; Kitamura, Masato; Fukuyama, Tohru","Enantioselective Total Synthesis of (+)-Hinckdentine A via a Catalytic Dearomatization Approach.","Journal of the American Chemical Society","2016","138","44","14578","14581","10.1021/jacs.6b10237","","","0.71075","MoKα","","","0.042","","","","0.1144","","","","","","1.08","","","","has coordinates","241431","2020-10-21","18:00:00",""
"4131152","19.57","0.002","19.57","0.002","9.704","0.002","90","","90","","90","","3716.5","0.9","173","","","","","","","","","","see text","4","P -4 21 c","P -4 2n","114","","","","- C20 H18 Br2 O2 -","- C20 H18 Br2 O2 -","- C160 H144 Br16 O16 -","8","1","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241432","2020-10-21","18:00:00",""
"4131153","15.1229","0.001","12.2107","0.0006","9.0045","0.0006","90","","101.217","0.005","90","","1631.02","0.18","193","","","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 O2 -","- C18 H14 Br2 O2 -","- C72 H56 Br8 O8 -","4","1","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241433","2020-10-21","18:00:00",""
"4131154","23.2609","0.0014","10.0529","0.0004","13.4445","0.0008","90","","99.182","0.005","90","","3103.6","0.3","193","","","","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","","","- B2 H42 O6 -","- C32 H42 B2 O6 -","- C128 H168 B8 O24 -","4","0.5","","Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus","A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).","Journal of the American Chemical Society","2016","138","50","16208","16211","10.1021/jacs.6b10254","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","241434","2020-10-21","18:00:00",""
"4131155","5.9556","0.0011","14.713","0.003","16.417","0.004","90","","90","","90","","1438.5","0.5","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 B O2 -","- C8 H7 B O2 -","- C64 H56 B8 O16 -","8","2","","Saito, Hayate; Otsuka, Shinya; Nogi, Keisuke; Yorimitsu, Hideki","Nickel-Catalyzed Boron Insertion into the C2-O Bond of Benzofurans.","Journal of the American Chemical Society","2016","138","47","15315","15318","10.1021/jacs.6b10255","","","1.54187","CuKα","","0.0281","0.0273","","","0.0729","0.0734","","","","","","1.005","","","","has coordinates","241435","2020-10-21","18:00:00",""
"4131156","8.1656","0.0012","15.1358","0.0014","15.7979","0.0016","90","","102.468","0.0019","90","","1906.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O2 -","- C30 H16 O2 -","- C120 H64 O8 -","4","1","","Yanagi, Tomoyuki; Otsuka, Shinya; Kasuga, Yuko; Fujimoto, Keisuke; Murakami, Kei; Nogi, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Metal-Free Approach to Biaryls from Phenols and Aryl Sulfoxides by Temporarily Sulfur-Tethered Regioselective C-H/C-H Coupling.","Journal of the American Chemical Society","2016","138","44","14582","14585","10.1021/jacs.6b10278","","","1.54187","CuKα","","0.0341","0.0313","","","0.0825","0.0844","","","","","","1.046","","","","has coordinates","241436","2020-10-21","18:00:00",""
"4131157","6.828","0.0014","9.559","0.0019","31.669","0.006","90","","90","","90","","2067","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O3 -","- C24 H34 O3 -","- C96 H136 O12 -","4","1","","Ren, Wenlong; Chang, Wenju; Dai, Jie; Shi, Yuan; Li, Jingfu; Shi, Yian","An Effective Pd-Catalyzed Regioselective Hydroformylation of Olefins with Formic Acid.","Journal of the American Chemical Society","2016","138","45","14864","14867","10.1021/jacs.6b10297","","","0.71073","MoKα","","0.1416","0.0688","","","0.0793","0.0953","","","","","","1.003","","","","has coordinates","241437","2020-10-21","18:00:00",""
"4131158","17.0516","0.0012","7.5368","0.0001","13.2536","0.0002","90","","90","","90","","1703.28","0.12","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H13 B F6 N7 Ni -","- C13 H13 B F6 N7 Ni -","- C52 H52 B4 F24 N28 Ni4 -","4","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0266","0.0263","","","0.0636","0.0638","","","","","","1.183","","","","has coordinates","241438","2020-10-21","18:00:00",""
"4131159","14.9798","0.0002","13.0128","0.0002","19.5957","0.0002","90","","90","","90","","3819.77","0.09","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B N6 Ni -","- C21 H18 B N6 Ni -","- C168 H144 B8 N48 Ni8 -","8","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54184","CuKα","","0.0501","0.045","","","0.1171","0.1257","","","","","","1.073","","","","has coordinates","241439","2020-10-21","18:00:00",""
"4131160","20.4982","0.0014","10.1199","0.0002","17.0418","0.0003","90","","90","","90","","3535.1","0.3","85","2","85","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H15 B F3 N6 Ni -","- C16 H15 B F3 N6 Ni -","- C128 H120 B8 F24 N48 Ni8 -","8","2","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0442","0.044","","","0.1094","0.1096","","","","","","1.063","","","","has coordinates","241440","2020-10-21","18:00:00",""
"4131161","7.7348","0.0001","20.0782","0.0002","23.804","0.0002","90","","90.094","0.002","90","","3696.78","0.07","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 B N6 Ni -","- C19 H22 B N6 Ni -","- C152 H176 B8 N48 Ni8 -","8","2","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54178","CuKα","","0.0499","0.0496","","","0.1308","0.1315","","","","","","1.083","","","","has coordinates,has disorder","241441","2020-10-21","18:00:00",""
"4131162","8.50891","0.00008","17.83577","0.00013","15.13048","0.00014","90","","100.464","0.0009","90","","2258.06","0.03","85","2","85","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H24 B F3 N6 Ni P -","- C19 H24 B F3 N6 Ni P -","- C76 H96 B4 F12 N24 Ni4 P4 -","4","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54184","CuKα","","0.0269","0.0264","","","0.0667","0.067","","","","","","1.047","","","","has coordinates","241442","2020-10-21","18:00:00",""
"4131163","9.8233","0.0003","24.3526","0.001","13.3575","0.0004","90","","107.704","0.002","90","","3044.09","0.18","193","2","193","2","","","","","","","","5","P 1 n 1","P -2yac","7","","4-(6,11-dibromo-1,4-diphenyl-3-(thiophen-3-yl)triphenylen-2-yl)pyridine","","- C39 H23 Br2 N S -","- C39 H23 Br2 N S -","- C156 H92 Br8 N4 S4 -","4","2","","Chen, Zongping; Zhang, Wen; Palma, Carlos-Andres; Lodi Rizzini, Alberto; Liu, Bilu; Abbas, Ahmad; Richter, Nils; Martini, Leonardo; Wang, Xiao-Ye; Cavani, Nicola; Lu, Hao; Mishra, Neeraj; Coletti, Camilla; Berger, Reinhard; Klappenberger, Florian; Kläui, Mathias; Candini, Andrea; Affronte, Marco; Zhou, Chongwu; De Renzi, Valentina; Del Pennino, Umberto; Barth, Johannes V.; Räder, Hans Joachim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","Synthesis of Graphene Nanoribbons by Ambient-Pressure Chemical Vapor Deposition and Device Integration.","Journal of the American Chemical Society","2016","138","47","15488","15496","10.1021/jacs.6b10374","","","0.71073","MoKα","","0.0737","0.0467","","","0.0982","0.1276","","","","","","1.056","","","","has coordinates,has disorder","241443","2020-10-21","18:00:00",""
"4131164","10.0211","0.0005","16.2229","0.0009","16.7816","0.0008","82.685","0.003","85.938","0.003","76.786","0.003","2631.9","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H29 N2 O2 -","- C95 H29 N2 O2 -","- C190 H58 N4 O4 -","2","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.","Journal of the American Chemical Society","2016","138","50","16459","16465","10.1021/jacs.6b10394","","","1.54178","CuKα","","0.0893","0.0624","","","0.1601","0.1781","","","","","","1.025","","","","has coordinates,has disorder","241444","2020-10-21","18:00:00",""
"4131165","24.5549","0.0012","13.8358","0.0007","20.011","0.0009","90","","109.893","0.002","90","","6392.8","0.5","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H33.25 Ag2 Cl4 F3 N2 O9 -","- C89 H33.25 Ag2 Cl4 F3 N2 O9 -","- C356 H133 Ag8 Cl16 F12 N8 O36 -","4","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.","Journal of the American Chemical Society","2016","138","50","16459","16465","10.1021/jacs.6b10394","","","1.54178","CuKα","","0.1019","0.0964","","","0.2541","0.2587","","","","","","1.09","","","","has coordinates,has disorder","241445","2020-10-21","18:00:00",""
"4131166","11.5733","0.0004","22.8941","0.0008","29.5418","0.0009","71.278","0.002","82.596","0.002","83.746","0.002","7332.4","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C172 H63 Ag4 N4 O17 -","- C172 H63 Ag4 N4 O17 -","- C344 H126 Ag8 N8 O34 -","2","1","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.","Journal of the American Chemical Society","2016","138","50","16459","16465","10.1021/jacs.6b10394","","","1.54178","CuKα","","0.1099","0.0912","","","0.232","0.2442","","","","","","1.026","","","","has coordinates,has disorder","241446","2020-10-21","18:00:00",""
"4131167","9.336","0.006","5.059","0.003","19.254","0.012","90","","101.116","0.009","90","","892.3","1","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O -","- C20 H20 Br N O -","- C40 H40 Br2 N2 O2 -","2","1","","Wang, Zi-Xuan; Bai, Xiao-Yan; Yao, Han-Chao; Li, Bi-Jie","Synthesis of Amides with Remote Stereocenters by Catalytic Asymmetric γ-Alkynylation of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2016","138","45","14872","14875","10.1021/jacs.6b10415","","","0.71073","MoKα","","0.0684","0.0575","","","0.092","0.0969","","","","","","1.155","","","","has coordinates","241447","2020-10-21","18:00:00",""
"4131168","12.6957","0.0008","13.7455","0.0007","15.3667","0.0009","104.296","0.002","90.301","0.002","104.17","0.002","2513.3","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","[CNArMes2]2","","","- C58 H68 N2 O2 -","- C58 H68 N2 O2 -","- C116 H136 N4 O4 -","2","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","0.71073","MoKα","","0.0774","0.0442","","","0.0958","0.1095","","","","","","1.003","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131169","13.74","0.003","31.382","0.006","21.01","0.004","90","","99.681","0.003","90","","8930","3","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cu-ISOCN-3","","","- C95 H112 Cu F6 N3 O5 P -","- C95 H112 Cu F6 N3 O5 P -","- C380 H448 Cu4 F24 N12 O20 P4 -","4","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","0.71073","MoKα","","0.2176","0.123","","","0.3287","0.3825","","","","","","1.195","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131170","38.4955","0.0014","17.5041","0.0006","27.6236","0.001","90","","113.737","0.002","90","","17038.9","1.1","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Cu-ISOCN-2","","","- C79 H79 Cu F6 N3 O P -","- C79 H79 Cu F6 N3 O P -","- C632 H632 Cu8 F48 N24 O8 P8 -","8","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","0.71073","MoKα","","0.1493","0.0999","","","0.2839","0.339","","","","","","1.295","","","","has coordinates,has disorder","241448","2020-10-21","18:00:00",""
"4131171","30.438","0.0014","44.985","0.002","30.3992","0.0014","90","","90","","90","","41624","3","100","2","100","","","","","","","","","7","F d d 2","F 2 -2d","43","Cu-ISOCN-1","","","- C112 H119 Cu F6 N4 O3 P -","- C112 H119 Cu F6 N4 O3 P -","- C1792 H1904 Cu16 F96 N64 O48 P16 -","16","1","","Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.","Journal of the American Chemical Society","2016","138","46","15138","15141","10.1021/jacs.6b10460","","","1.54178","CuKα","","0.1033","0.0887","","","0.2476","0.2708","","","","","","1.057","","","","has coordinates","241448","2020-10-21","18:00:00",""
"4131172","7.0768","0.0006","8.741","0.0006","19.9486","0.0013","90","","90","","90","","1233.99","0.16","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C48 H44 F12 N8 O4 -","4","1","","Wang, Fei; Wang, Dinghai; Wan, Xiaolong; Wu, Lianqian; Chen, Pinhong; Liu, Guosheng","Enantioselective Copper-Catalyzed Intermolecular Cyanotrifluoromethylation of Alkenes via Radical Process.","Journal of the American Chemical Society","2016","138","48","15547","15550","10.1021/jacs.6b10468","","","1.54178","CuKα","","0.0587","0.0483","","","0.1367","0.1395","","","","","","1.068","","","","has coordinates","241449","2020-10-21","18:00:00",""
"4131173","7.2323","0.0004","7.7706","0.0004","20.5683","0.001","90","","90","","90","","1155.92","0.1","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F3 N -","- C12 H12 F3 N -","- C48 H48 F12 N4 -","4","1","","Wang, Fei; Wang, Dinghai; Wan, Xiaolong; Wu, Lianqian; Chen, Pinhong; Liu, Guosheng","Enantioselective Copper-Catalyzed Intermolecular Cyanotrifluoromethylation of Alkenes via Radical Process.","Journal of the American Chemical Society","2016","138","48","15547","15550","10.1021/jacs.6b10468","","","1.54178","CuKα","","0.0486","0.0471","","","0.1279","0.1305","","","","","","1.116","","","","has coordinates","241450","2020-10-21","18:00:00",""
"4131174","12.8387","0.0008","13.2552","0.0008","14.3715","0.0008","76.202","0.002","75.565","0.002","72.413","0.002","2222.3","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H68 Mo O2 P2 Si2 -","- C42 H68 Mo O2 P2 Si2 -","- C84 H136 Mo2 O4 P4 Si4 -","2","1","","Buss, Joshua A.; Agapie, Theodor","Mechanism of Molybdenum-Mediated Carbon Monoxide Deoxygenation and Coupling: Mono- and Dicarbyne Complexes Precede C-O Bond Cleavage and C-C Bond Formation.","Journal of the American Chemical Society","2016","138","50","16466","16477","10.1021/jacs.6b10535","","","0.71073","MoKα","","0.0825","0.0447","","","0.0721","0.0802","","","","","","1.04","","","","has coordinates,has disorder","241451","2020-10-21","18:00:00",""
"4131175","9.276","0.0003","11.7913","0.0004","16.9954","0.0006","108.182","0.001","100.246","0.001","98.836","0.001","1693.88","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H49 Cl Mo O P2 Si -","- C35 H49 Cl Mo O P2 Si -","- C70 H98 Cl2 Mo2 O2 P4 Si2 -","2","1","","Buss, Joshua A.; Agapie, Theodor","Mechanism of Molybdenum-Mediated Carbon Monoxide Deoxygenation and Coupling: Mono- and Dicarbyne Complexes Precede C-O Bond Cleavage and C-C Bond Formation.","Journal of the American Chemical Society","2016","138","50","16466","16477","10.1021/jacs.6b10535","","","0.71073","MoKα","","0.0331","0.0242","","","0.0541","0.0568","","","","","","1.039","","","","has coordinates","241451","2020-10-21","18:00:00",""
"4131176","24.5299","0.0016","24.5299","0.0016","16.0593","0.0011","90","","90","","90","","9663.1","1.1","173","2","173.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C46 H48 Cl2 N10 O10 Zn2 -","- C46 H48 Cl2 N10 O10 Zn2 -","- C368 H384 Cl16 N80 O80 Zn16 -","8","1","","Pramanik, Susnata; Aprahamian, Ivan","Hydrazone Switch-Based Negative Feedback Loop.","Journal of the American Chemical Society","2016","138","46","15142","15145","10.1021/jacs.6b10542","","","0.71073","MoKα","","0.0907","0.0524","","","0.1152","0.1356","","","","","","1.025","","","","has coordinates","241452","2020-10-21","18:00:00",""
"4131177","13.303","0.0019","10.8081","0.0015","13.6576","0.0019","90","","112.965","0.0016","90","","1808.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C84 H88 N16 O4 -","4","1","","Pramanik, Susnata; Aprahamian, Ivan","Hydrazone Switch-Based Negative Feedback Loop.","Journal of the American Chemical Society","2016","138","46","15142","15145","10.1021/jacs.6b10542","","","0.71073","MoKα","","0.0714","0.0492","","","0.1341","0.1562","","","","","","1.065","","","","has coordinates","241453","2020-10-21","18:00:00",""
"4131178","14.6897","0.0007","11.2855","0.0006","26.2745","0.0013","90","","92.616","0.001","90","","4351.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 N4 P S2 V -","- C46 H57.2406 N4 P S2 V -","- C184 H228.962 N16 P4 S8 V4 -","4","1","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0513","0.0405","","","0.1022","0.109","","","","","","1.024","","","","has coordinates,has disorder","241454","2020-10-21","18:00:00",""
"4131179","10.712","0.007","10.766","0.006","20.493","0.012","93.01","0.011","95.875","0.011","111.081","0.01","2183","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H70 N4 P V -","- C44 H70 N4 P V -","- C88 H140 N8 P2 V2 -","2","1","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.082","0.0508","","","0.1213","0.1369","","","","","","1.038","","","","has coordinates,has disorder","241455","2020-10-21","18:00:00",""
"4131180","10.5666","0.0009","11.456","0.001","17.0471","0.0014","88.103","0.002","75.493","0.002","81.77","0.002","1977.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H62 N4 P V -","- C41 H62 N4 P V -","- C82 H124 N8 P2 V2 -","2","1","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0884","0.0571","","","0.1361","0.1525","","","","","","1.043","","","","has coordinates,has disorder","241456","2020-10-21","18:00:00",""
"4131181","12.1402","0.0006","17.3686","0.001","34.052","0.002","90","","97.011","0.001","90","","7126.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H108 N8 P2 V2 -","- C72 H108 N8 P2 V2 -","- C288 H432 N32 P8 V8 -","4","0.5","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0484","0.0405","","","0.1047","0.1119","","","","","","1.024","","","","has coordinates,has disorder","241457","2020-10-21","18:00:00",""
"4131182","29.333","0.0012","29.333","0.0012","23.124","0.001","90","","90","","120","","17230.8","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C76 H118 N8 O P2 V2 -","- C76 H118 N8 O P1.9998 V2 -","- C684 H1062 N72 O9 P17.9982 V18 -","9","0.5","","Courtemanche, Marc-André; Transue, Wesley J.; Cummins, Christopher C.","Phosphinidene Reactivity of a Transient Vanadium P≡N Complex.","Journal of the American Chemical Society","2016","138","50","16220","16223","10.1021/jacs.6b10545","","","0.71073","MoKα","","0.0644","0.0555","","","0.1411","0.1493","","","","","","1.02","","","","has coordinates,has disorder","241458","2020-10-21","18:00:00",""
"4131183","10.0794","0.0019","13.775","0.005","16.137","0.005","100.904","0.009","102.293","0.006","95.348","0.008","2128.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H136 Cl10 In2 P4 Pt2 -","- C74 H136 Cl10 In2 P4 Pt2 -","- C74 H136 Cl10 In2 P4 Pt2 -","1","0.5","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0264","0.0235","","","0.0561","0.0582","","","","","","1.053","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131184","18.21","0.03","18.2","0.03","24.12","0.04","90","","90","","90","","7994","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H66 Br3 In P2 Pt -","- C36 H66 Br3 In P2 Pt -","- C288 H528 Br24 In8 P16 Pt8 -","8","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.03","0.0239","","","0.0606","0.0641","","","","","","1.034","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131185","20.3253","0.0016","17.5271","0.0016","23.86","0.002","90","","95.22","0.003","90","","8464.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 I3 In P2 Pt -","- C36 H66 I3 In P2 Pt -","- C288 H528 I24 In8 P16 Pt8 -","8","2","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0485","0.0379","","","0.073","0.08","","","","","","1.245","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131186","10.039","0.005","11.374","0.002","18.113","0.009","85.665","0.018","84.79","0.03","79.33","0.03","2020.4","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H57 Cl3 In N2 P Pt -","- C39 H57 Cl3 In N2 P Pt -","- C78 H114 Cl6 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0173","0.0156","","","0.0381","0.0389","","","","","","1.065","","","","has coordinates,has disorder","241459","2020-10-21","18:00:00",""
"4131187","9.7448","0.0005","11.3216","0.0006","21.2806","0.0011","99.695","0.002","98.538","0.002","103.025","0.002","2211.9","0.2","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H59 Br3 Cl2 In N2 P Pt -","- C40 H59 Br3 Cl2 In N2 P Pt -","- C80 H118 Br6 Cl4 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0176","0.0171","","","0.0416","0.0418","","","","","","1.111","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131188","11.252","0.003","13.5715","0.0018","14.616","0.003","90","","100.154","0.009","90","","2197","0.8","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H59 Br3 Cl2 In N2 P Pt -","- C40 H59 Br3 Cl2 In N2 P Pt -","- C80 H118 Br6 Cl4 In2 N4 P2 Pt2 -","2","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0267","0.0254","","","0.053","0.0533","","","","","","1.02","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131189","19.3025","0.001","14.6591","0.0007","15.6982","0.0008","90","","105.338","0.002","90","","4283.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 I3 In N2 P Pt -","- C39 H57 I3 In N2 P Pt -","- C156 H228 I12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0461","0.0285","","","0.05","0.0558","","","","","","1.073","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131190","10.537","0.008","18.202","0.005","17.746","0.01","90","","96.12","0.03","90","","3384","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Cl3 In N2 P Pt -","- C28 H51 Cl3 In N2 P Pt -","- C112 H204 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0244","0.0177","","","0.0382","0.0408","","","","","","1.096","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131191","12.626","0.012","20.121","0.016","14.367","0.01","90","","105.01","0.04","90","","3525","5","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Br3 In N2 P Pt -","- C28 H51 Br3 In N2 P Pt -","- C112 H204 Br12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0607","0.0389","","","0.0755","0.0841","","","","","","1.06","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131192","15.844","0.007","11.462","0.005","21.628","0.009","90","","107.92","0.02","90","","3737","3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 I3 In N2 P Pt -","- C28 H51 I3 In N2 P Pt -","- C112 H204 I12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0294","0.0228","","","0.048","0.0507","","","","","","1.084","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131193","10.3824","0.0015","17.613","0.002","19.569","0.003","90","","91.543","0.005","90","","3577.2","0.9","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H55 Cl3 In N2 P Pt -","- C32 H55 Cl3 In N2 P Pt -","- C128 H220 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0155","0.0147","","","0.0376","0.0379","","","","","","1.048","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131194","26.842","0.005","11.4344","0.0019","18.267","0.005","90","","125.656","0.012","90","","4555.5","1.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H67 Cl3 In N2 P Pt -","- C44 H67 Cl3 In N2 P Pt -","- C176 H268 Cl12 In4 N8 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0216","0.019","","","0.038","0.0389","","","","","","0.807","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131195","14.1686","0.0004","18.407","0.0005","23.6583","0.0008","90","","102.763","0.001","90","","6017.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.15 H87.28 Cl11.27 In P3 Pt -","- C47.138 H87.276 Cl11.276 In P3 Pt -","- C188.552 H349.104 Cl45.104 In4 P12 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0435","0.0339","","","0.0728","0.0788","","","","","","1.058","","","","has coordinates,has disorder","241460","2020-10-21","18:00:00",""
"4131196","14.0146","0.0015","17.9899","0.0019","24.582","0.003","90","","101.702","0.003","90","","6068.8","1.2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H89 Cl11 In P3 Pt -","- C48 H89 Cl11 In P3 Pt -","- C192 H356 Cl44 In4 P12 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.1071","0.0571","","","0.1029","0.1196","","","","","","1.016","","","","has coordinates,has disorder","241460","2020-10-21","18:00:00",""
"4131197","13.0165","0.0008","22.8785","0.0015","18.2202","0.0013","90","","91.732","0.002","90","","5423.5","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H66 Br3 F4 In N3 P Pt -","- C53 H66 Br3 F4 In N3 P Pt -","- C212 H264 Br12 F16 In4 N12 P4 Pt4 -","4","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.0353","0.0261","","","0.0576","0.0602","","","","","","1.064","","","","has coordinates","241460","2020-10-21","18:00:00",""
"4131198","6.069","0.0003","16.0832","0.0008","23.2308","0.0013","90","","90","","90","","2267.5","0.2","292","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Br N O5 -","- C22 H30 Br N O5 -","- C88 H120 Br4 N4 O20 -","4","1","","Liu, Yidong; Ao, Jun; Paladhi, Sushovan; Song, Choong Eui; Yan, Hailong","Organocatalytic Asymmetric Synthesis of Chiral Dioxazinanes and Dioxazepanes with in Situ Generated Nitrones via a Tandem Reaction Pathway Using a Cooperative Cation Binding Catalyst.","Journal of the American Chemical Society","2016","138","50","16486","16492","10.1021/jacs.6b10660","","","0.71073","MoKα","","0.0923","0.0466","","","0.0639","0.0779","","","","","","1.045","","","","has coordinates","241461","2020-10-21","18:00:00",""
"4131199","17.7644","0.0004","11.6635","0.0002","32.0041","0.0007","90","","90","","90","","6631.1","0.2","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C37 H46 N10 -","- C37 H46 N10 -","- C296 H368 N80 -","8","2","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.0731","0.0514","","","0.1123","0.1228","","","","","","1.031","","","","has coordinates","241462","2020-10-21","18:00:00",""
"4131200","13.5283","0.0007","22.8407","0.0008","18.0121","0.0008","90","","109.545","0.005","90","","5245","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H82 F N11 -","- C53 H82 F N11 -","- C212 H328 F4 N44 -","4","1","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.1702","0.0869","","","0.1979","0.2378","","","","","","1.018","","","","has coordinates,has disorder","241464","2020-10-21","18:00:00",""
"4131201","13.5356","0.0002","22.6654","0.0004","18.2173","0.0003","90","","109.617","0.001","90","","5264.49","0.15","120","2","120","2","","","","","","","Masafumi Yano","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H82 Cl N11 -","- C53 H82 Cl N11 -","- C212 H328 Cl4 N44 -","4","1","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","","0.71073","MoKα","","0.0908","0.0584","","","0.1473","0.1653","","","","","","1.029","","","","has coordinates","241465","2020-10-21","18:00:00",""
"4131202","11.5405","0.0003","20.3342","0.0004","20.4173","0.0005","117.361","0.002","97.175","0.002","90.5504","0.0018","4209.71","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Cs F N10 O2 -","- C42 H60 Cs F N10 O2 -","- C168 H240 Cs4 F4 N40 O8 -","4","2","","Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.","Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.","Journal of the American Chemical Society","2016","138","50","16515","16522","10.1021/jacs.6b10694","","x-ray","0.71073","MoKα","","0.0697","0.0532","","","0.1229","0.1312","","","","","","1.027","","","","has coordinates,has disorder","241466","2020-10-21","18:00:00",""
"4131203","44.997","0.018","11.379","0.004","22.258","0.009","90","","95.284","0.006","90","","11348","8","90","2","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C84Ad","","","- C106 H22 Cl4 -","- C106 H22 Cl4 -","- C848 H176 Cl32 -","8","1","","Yamada, Michio; Tanabe, Yukiko; Dang, Jing-Shuang; Sato, Satoru; Mizorogi, Naomi; Hachiya, Makoto; Suzuki, Mitsuaki; Abe, Tsuneyuki; Kurihara, Hiroki; Maeda, Yutaka; Zhao, Xiang; Lian, Yongfu; Nagase, Shigeru; Akasaka, Takeshi","D<sub>2d</sub>(23)-C<sub>84</sub> versus Sc<sub>2</sub>C<sub>2</sub>@D<sub>2d</sub>(23)-C<sub>84</sub>: Impact of Endohedral Sc<sub>2</sub>C<sub>2</sub> Doping on Chemical Reactivity in the Photolysis of Diazirine.","Journal of the American Chemical Society","2016","138","50","16523","16532","10.1021/jacs.6b10751","","x-ray","0.6889","synchrotron","","0.1177","0.0474","","","0.0978","0.1093","","","","","","0.766","","","","has coordinates,has disorder","241467","2020-10-21","18:00:00",""
"4131204","11.2973","0.0002","14.9219","0.0003","16.4784","0.0003","89.057","0.001","76.546","0.001","74.112","0.001","2595.13","0.09","90","","90","","","","","","","","","5","P -1","-P 1","2","Sc2C2@D2d(23)-C84(Ad)","","","- C102.2 H17.68 Cl1.84 S1.32 Sc2 -","- C102.18 H17.68 Cl1.84 S1.32 Sc2 -","- C204.36 H35.36 Cl3.68 S2.64 Sc4 -","2","1","","Yamada, Michio; Tanabe, Yukiko; Dang, Jing-Shuang; Sato, Satoru; Mizorogi, Naomi; Hachiya, Makoto; Suzuki, Mitsuaki; Abe, Tsuneyuki; Kurihara, Hiroki; Maeda, Yutaka; Zhao, Xiang; Lian, Yongfu; Nagase, Shigeru; Akasaka, Takeshi","D<sub>2d</sub>(23)-C<sub>84</sub> versus Sc<sub>2</sub>C<sub>2</sub>@D<sub>2d</sub>(23)-C<sub>84</sub>: Impact of Endohedral Sc<sub>2</sub>C<sub>2</sub> Doping on Chemical Reactivity in the Photolysis of Diazirine.","Journal of the American Chemical Society","2016","138","50","16523","16532","10.1021/jacs.6b10751","","","0.71073","MoKα","","0.0966","0.0848","","","0.2301","0.243","","","","","","1.033","","","","has coordinates,has disorder","241468","2020-10-21","18:00:00",""
"4131205","8.9976","0.0003","12.5054","0.0004","24.0168","0.0005","94.504","0.002","99.812","0.002","109.967","0.003","2475.32","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 Cl2 N2 O6 Pd -","- C50 H44 Cl2 N2 O6 Pd -","- C100 H88 Cl4 N4 O12 Pd2 -","2","1","","Yu, Chengyuan; Ma, Lishuang; He, Jiaojiao; Xiang, Junfeng; Deng, Xuebin; Wang, Ying; Chen, Xuebo; Jiang, Hua","Flexible, Linear Chains Act as Baffles To Inhibit the Intramolecular Rotation of Molecular Turnstiles.","Journal of the American Chemical Society","2016","138","49","15849","15852","10.1021/jacs.6b10816","","x-ray","1.54184","CuKα","","0.0683","0.0624","","","0.1714","0.1775","","","","","","1.037","","","","has coordinates,has disorder","241469","2020-10-21","18:00:00",""
"4131206","14.7646","0.0004","8.9396","0.0002","16.5413","0.0004","90","","90.091","0.001","90","","2183.28","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl N4 O3 -","- C22 H27 Cl N4 O3 -","- C88 H108 Cl4 N16 O12 -","4","1","","Shi, Hang; Wang, Peng; Suzuki, Shin; Farmer, Marcus E.; Yu, Jin-Quan","Ligand Promoted meta-C-H Chlorination of Anilines and Phenols.","Journal of the American Chemical Society","2016","138","45","14876","14879","10.1021/jacs.6b11055","","x-ray","1.54178","CuKα","","0.0382","0.037","","","0.0908","0.0915","","","","","","1.063","","","","has coordinates","241470","2020-10-21","18:00:00",""
"4131207","32.5352","0.0011","32.5352","0.0011","30.2469","0.001","90","","90","","120","","27728","1.6","120","2","120","2","","","","","","","","5","P -6 m 2","P -6 2","187","{Ni24(TC4A-SO2)6(TDC)12(H2O)6}","","","- C312 H300 Ni24 O126 S36 -","- C312 H144 Ni24 O126 S36 -","- C312 H144 Ni24 O126 S36 -","1","0.0833333","","Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Liao, Wuping; Chen, Wei","Ultrafine Pt Nanoclusters Confined in a Calixarene-Based {Ni<sub>24</sub>} Coordination Cage for High-Efficient Hydrogen Evolution Reaction.","Journal of the American Chemical Society","2016","138","50","16236","16239","10.1021/jacs.6b11218","","","1.54178","CuKα","","0.0759","0.0743","","","0.1889","0.1905","","","","","","1.08","","","","has coordinates","241471","2020-10-21","18:00:00",""
"4131208","38.513","0.008","22.18","0.004","27.38","0.006","90","","102.49","0.03","90","","22835","8","190","2","190","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{Co12 (TC4A-SO2)3 (TDC)6 Cl3}","","","- C156 H144 Cl3 Co12 O60 S18 -","- C156 H144 Cl3 Co12 O60 S18 -","- C624 H576 Cl12 Co48 O240 S72 -","4","0.5","","Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Liao, Wuping; Chen, Wei","Ultrafine Pt Nanoclusters Confined in a Calixarene-Based {Ni<sub>24</sub>} Coordination Cage for High-Efficient Hydrogen Evolution Reaction.","Journal of the American Chemical Society","2016","138","50","16236","16239","10.1021/jacs.6b11218","","","0.71073","MoKα","","0.103","0.0651","","","0.165","0.1826","","","","","","0.986","","","","has coordinates","241472","2020-10-21","18:00:00",""
"4131209","6.8167","0.0003","14.7936","0.0006","15.5874","0.0006","90","","90","","90","","1571.89","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N -","- C21 H19 N -","- C84 H76 N4 -","4","1","","Jiao, Zhiwei; Chee, Kwok Wei; Zhou, Jianrong Steve","Palladium-Catalyzed Asymmetric α-Arylation of Alkylnitriles.","Journal of the American Chemical Society","2016","138","50","16240","16243","10.1021/jacs.6b11610","","","1.54178","CuKα","","0.0534","0.053","","","0.1302","0.1309","","","","","","1.18","","","","has coordinates","241473","2020-10-21","18:00:00",""
"4131210","12.0712","0.0018","13.679","0.002","15.741","0.002","81.46","0.003","84.332","0.004","73.752","0.003","2463.2","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C120 H128 O24 -","4","2","","Sato, Hiroki; Bender, Matthias; Chen, Weijie; Krische, Michael J.","Diols, α-Ketols, and Diones as 2<sub>2π</sub> Components in [2+2+2] Cycloadditions of 1,6-Diynes via Ruthenium(0)-Catalyzed Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","50","16244","16247","10.1021/jacs.6b11746","","","0.71073","MoKα","","0.073","0.0521","","","0.117","0.1268","","","","","","1.045","","","","has coordinates,has disorder","241474","2020-10-21","18:00:00",""
"4131211","23.8752","0.0008","12.5466","0.0004","29.7667","0.001","90","","100.702","0.003","90","","8761.6","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C53 H48 O6 P2 Ru -","- C53 H48 O6 P2 Ru -","- C424 H384 O48 P16 Ru8 -","8","1","","Sato, Hiroki; Bender, Matthias; Chen, Weijie; Krische, Michael J.","Diols, α-Ketols, and Diones as 2<sub>2π</sub> Components in [2+2+2] Cycloadditions of 1,6-Diynes via Ruthenium(0)-Catalyzed Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","50","16244","16247","10.1021/jacs.6b11746","","","1.54184","CuKα","","0.0489","0.0478","","","0.1318","0.134","","","","","","1.023","","","","has coordinates","241475","2020-10-21","18:00:00",""