# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-10T10:51:17+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 = 134 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
"4117229","11.533","0.003","10.25","0.003","15.157","0.004","90","","102.272","0.001","90","","1750.8","0.8","123.1","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Ir N2 O3 -","- C20 H21 Ir N2 O3 -","- C80 H84 Ir4 N8 O12 -","4","1","","Yuta Maenaka; Tomoyoshi Suenobu; Shunichi Fukuzumi","Efficient Catalytic Interconversion between NADH and NAD+ Accompanied by Generation and Consumption of Hydrogen with a Water-Soluble Iridium Complex at Ambient Pressure and Temperature","Journal of the American Chemical Society","2012","134","","367","374","10.1021/ja207785f","","","0.7107","MoKα","","","0.0362","","","","0.0979","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117230","57.7039","0.0004","57.7039","0.0004","70.9767","0.0009","90","","90","","120","","204671","3","90","2","90","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C1225.5 H1327.5 Cd66 N128.5 O332.5 -","- C949.5 H671.5 Cd66 N28.5 O216.5 -","- C5697 H4029 Cd396 N171 O1299 -","6","0.333333","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.138","0.0888","","","0.238","0.272","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117231","35.4763","0.0002","43.6363","0.0003","48.9095","0.0003","90","","90","","90","","75714.6","0.8","90","2","90","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C1242 H1296 Cd66 N116 O316 -","- C930 H556 Cd66 N12 O212 -","- C1860 H1112 Cd132 N24 O424 -","2","0.25","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","0.6889","synchrotron","","0.0761","0.0539","","","0.1405","0.1497","","","","","","1.137","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117232","37.7593","0.0011","16.0278","0.0005","20.2686","0.0006","90","","105.531","0.003","90","","11818.6","0.6","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H122 Cd3 N8 O26 -","- C100.5 H78.5 Cd3 N3.5 O19 -","- C402 H314 Cd12 N14 O76 -","4","0.5","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.103","0.086","","","0.267","0.289","","","","","","1.16","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117233","10.4977","0.0017","13.273","0.004","16.561","0.003","88.393","0.017","76.549","0.013","69.16","0.02","2093.6","0.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H82 Cd3 N4 O16 -","- C102 H82 Cd3 N4 O16 -","- C102 H82 Cd3 N4 O16 -","1","0.5","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","0.71073","MoKα","","0.147","0.089","","","0.198","0.228","","","","","","1.09","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117234","30.7832","0.0006","11.41495","0.00019","23.7561","0.0004","90","","101.419","0.0017","90","","8182.4","0.3","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C97 H76 Cd3 Cl N3 O13 -","- C97 H76 Cd3 Cl N3 O13 -","- C388 H304 Cd12 Cl4 N12 O52 -","4","1","","Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder","High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball","Journal of the American Chemical Society","2012","134","","55","58","10.1021/ja207845u","","","1.54184","CuKα","","0.0536","0.0529","","","0.1422","0.1437","","","","","","1.046","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117235","16.901","0.003","9.2889","0.0019","19.688","0.004","90","","106.99","0.03","90","","2956","1.1","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C128 H152 N8 O16 S8 -","8","2","","Mu Lin; Guan-Yu Kang; Yi-An Guo; Zhi-Xiang Yu","Asymmetric Rh(I)-Catalyzed Intramolecular [3 + 2] Cycloaddition of 1-Yne-vinylcyclopropanes for Bicyclo[3.3.0] Compounds with a Chiral Quaternary Carbon Stereocenter and Density Functional Theory Study of the Origins of Enantioselectivity","Journal of the American Chemical Society","2012","134","","398","405","10.1021/ja2082119","","","0.71073","MoKα","","0.0568","0.0531","","","0.1308","0.1336","","","","","","1.09","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117236","15.095","0.005","16.824","0.005","17.09","0.005","90.401","0.004","97.417","0.008","97.631","0.009","4264","2","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C48.5 H90 Na O45 -","- C48.5 H81.5 Na O45 -","- C97 H163 Na2 O90 -","2","2","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","0.71073","MoKα","","0.1255","0.1224","","","0.3235","0.327","","","","","","1.48","","","","has coordinates","286259","2023-09-07","06:04:42",""
"4117237","24.136","0.006","24.136","0.006","15.454","0.004","90","","90","","90","","9003","4","93","2","93","2","","","","","","","","4","I 4","I 4","79","","","","- C25 H45 Cs O22 -","- C25 H43 Cs O21 -","- C200 H344 Cs8 O168 -","8","1","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","0.71073","MoKα","","0.0799","0.0799","","","0.2377","0.2378","","","","","","1.12","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117238","17.4843","0.0002","17.4843","0.0002","22.5856","0.0005","90","","90","","120","","5979.42","0.16","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C48 H75 Br2 O46 Sr -","- C48 H75 Br2 O46 Sr -","- C144 H225 Br6 O138 Sr3 -","3","1","","Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart","Nanoporous Carbohydrate Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","406","417","10.1021/ja208224f","","","1.54178","CuKα","","0.0906","0.0899","","","0.2337","0.2351","","","","","","1.031","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117239","34.6471","0.0002","34.6471","0.0002","34.6471","0.0002","90","","90","","90","","41591.1","0.4","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 N288 Zn48 -","- C384 H288 N288 Zn48 -","- C768 H576 N576 Zn96 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54178","CuKα","","0.0776","0.0388","","","0.0791","0.0888","","","","","","0.867","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117240","35.795","0.0004","35.795","0.0004","35.795","0.0004","90","","90","","90","","45863.5","0.9","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 Mn48 N288 -","- C384 H288 Mn48 N288 -","- C768 H576 Mn96 N576 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54184","CuKα","","0.1183","0.0513","","","0.1117","0.1302","","","","","","0.82","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117241","34.2896","0.0003","34.2896","0.0003","34.2896","0.0003","90","","90","","90","","40316.9","0.6","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H288 Cu48 N288 -","- C384 H288 Cu48 N288 -","- C768 H576 Cu96 N576 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54184","CuKα","","0.051","0.0407","","","0.1148","0.1214","","","","","","1.031","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117242","33.8514","0.0019","33.8514","0.0019","33.8514","0.0019","90","","90","","90","","38791","4","100","2","100","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C384 H384 N288 Ni48 O48 -","- C384 H384 N288 Ni48 O48 -","- C768 H768 N576 Ni96 O96 -","2","0.0208333","","Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li","Gyroidal Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","67","70","10.1021/ja208469n","","","1.54184","CuKα","","0.1852","0.1289","","","0.3104","0.3708","","","","","","1.08","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117243","13.8921","0.0004","15.077","0.0005","16.2208","0.0005","111.497","0.001","105.984","0.001","106.199","0.001","2751.22","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25.333 F N3 O6.667 -","- C17 H25.3333 F N3 O6.66667 -","- C102 H152 F6 N18 O40 -","6","3","","Mafra, Luís; Santos, Sérgio M.; Siegel, Renée; Alves, Inês; Paz, Filipe A. Almeida; Dudenko, Dmytro; Spiess, Hans W.","Packing Interactions in Hydrated and Anhydrous Forms of the Antibiotic Ciprofloxacin: a Solid-State NMR, X-ray Diffraction, and Computer Simulation Study","Journal of the American Chemical Society","2012","134","1","71","74","10.1021/ja208647n","","","0.71073","MoKα","","0.0852","0.0491","","","0.1206","0.1393","","","","","","1.022","","","","has coordinates","219257","2020-10-21","18:00:00",""
"4117244","13.8743","0.0006","15.9086","0.0006","16.5542","0.0011","115.64","0.003","103.505","0.003","102.53","0.002","2984.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H83 F3 N9 O23.5 -","- C51 H74 F3 N9 O23.5 -","- C102 H148 F6 N18 O47 -","2","1","","Mafra, Luís; Santos, Sérgio M.; Siegel, Renée; Alves, Inês; Paz, Filipe A. Almeida; Dudenko, Dmytro; Spiess, Hans W.","Packing Interactions in Hydrated and Anhydrous Forms of the Antibiotic Ciprofloxacin: a Solid-State NMR, X-ray Diffraction, and Computer Simulation Study","Journal of the American Chemical Society","2012","134","1","71","74","10.1021/ja208647n","","","0.71073","MoKα","","0.0807","0.0526","","","0.1407","0.1601","","","","","","1.038","","","","has coordinates","219257","2020-10-21","18:00:00",""
"4117245","17.2326","0.0004","7.697","0.0002","20.4782","0.0006","90","","108.648","0.001","90","","2573.62","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H46 N2 O9 S2 -","- C58.99 H40 N2 O8.99 S2 -","- C117.98 H80 N4 O17.98 S4 -","2","1","","Nandhini Ponnuswamy; G. Dan Pantoş; Maarten M. J. Smulders; Jeremy K. M. Sanders","Thermodynamics of Supramolecular Naphthalenediimide Nanotube Formation: The Influence of Solvents, Side Chains, and Guest Templates","Journal of the American Chemical Society","2012","134","","566","573","10.1021/ja2088647","","","0.71073","MoKα","","0.1344","0.0894","","","0.2312","0.2657","","","","","","1.095","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117246","17.6359","0.0011","17.6227","0.0013","7.9994","0.0005","90","","90","","90","","2486.2","0.3","100","2","100","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C18 H14 -","- C18 H14 -","- C144 H112 -","8","1","","Longwu Ye; Yanzhao Wang; Donald H. Aue; Liming Zhang","Experimental and Computational Evidence for Gold Vinylidenes: Generation from Terminal Alkynes via a Bifurcation Pathway and Facile C-H Insertions","Journal of the American Chemical Society","2012","134","","31","34","10.1021/ja2091992","","","0.71073","MoKα","","0.0636","0.053","","","0.1338","0.1425","","","","","","1.05","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117247","27.6998","0.0019","8.0335","0.0006","19.1504","0.0013","90","","90","","90","","4261.5","0.5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C50 H20 Cl10 -","- C50 H20 Cl10 -","- C200 H80 Cl40 -","4","1","","Lawrence T. Scott; Edward A. Jackson; Qianyan Zhang; Brian D. Steinberg; Mihail Bancu; Bo Li","A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis","Journal of the American Chemical Society","2012","134","","107","110","10.1021/ja209461g","","","0.71073","MoKα","","0.0547","0.0467","","","0.103","0.1073","","","","","","1.064","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117248","10.8009","0.0004","16.5677","0.0005","17.0172","0.0006","90","","90","","90","","3045.16","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H10 S4 -","- C52 H10 S4 -","- C208 H40 S16 -","4","1","","Lawrence T. Scott; Edward A. Jackson; Qianyan Zhang; Brian D. Steinberg; Mihail Bancu; Bo Li","A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis","Journal of the American Chemical Society","2012","134","","107","110","10.1021/ja209461g","","","0.71073","MoKα","","0.0547","0.0375","","","0.0765","0.0833","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117249","4.763","0.0001","11.2526","0.0002","22.7956","0.0005","90","","90","","90","","1221.76","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2-(benzylseleninyl)phenyl)methanol","(2-(benzylseleninyl)phenyl)methanol","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","","Vanessa Nascimento; Eduardo E. Alberto; Daniel W. Tondo; Daniel Dambrowski; Michael R. Detty; Faruk Nome; Antonio L. Braga","GPx-Like Activity of Selenides and Selenoxides: Experimental Evidence for the Involvement of Hydroxy Perhydroxy Selenane as the Active Species","Journal of the American Chemical Society","2012","134","","138","141","10.1021/ja209570y","","","0.71073","MoKα","","0.0219","0.02","","","0.0489","0.0497","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117250","33.861","0.006","5.087","0.0007","18.047","0.004","90","","117.51","0.02","90","","2757.1","1","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","macrocycle","","","- C36 H24 O4 -","- C36 H24 O4 -","- C144 H96 O16 -","4","0.5","","Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher","Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube","Journal of the American Chemical Society","2012","134","","142","145","10.1021/ja209792f","","","1.5418","CuKα","","0.112","0.0467","","","0.0956","0.1192","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117251","4.8389","0.0003","9.1349","0.0005","15.9935","0.0008","85.317","0.004","86.918","0.004","80.569","0.005","694.49","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","Monomer","5,12,24,31-Tetraoxa-tricyclo[33.3.1.16.20]tetracontra-1(39),16,18, 20(40),35,37-hexaene-2,7,9,14,21,26,28,33-octayne","","- C36 H24 O4 -","- C36 H24 O4 -","- C36 H24 O4 -","1","0.5","","Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher","Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube","Journal of the American Chemical Society","2012","134","","142","145","10.1021/ja209792f","","","1.5418","CuKα","","0.0698","0.0519","","","0.1449","0.1678","","","","","","1.087","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117252","4.889","0.005","9.035","0.009","15.995","0.01","84.99","0.07","88.02","0.08","80.37","0.07","693.8","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","polymer","","","- C36 H24 O4 -","- C36 H24 O4 -","- C36 H24 O4 -","1","0.5","","Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher","Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube","Journal of the American Chemical Society","2012","134","","142","145","10.1021/ja209792f","","","0.71073","MoKα","","0.2438","0.1008","","","0.2184","0.2726","","","","","","0.869","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117253","9.0332","0.0003","19.8837","0.0005","16.6632","0.0005","90","","108.186","0.0011","90","","2843.44","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 B N O P -","- C26 H39 B N O P -","- C104 H156 B4 N4 O4 P4 -","4","1","","Federica Bertini; Volodymyr Lyaskovskyy; Brian J. J. Timmer; Frans J. J. de Kanter; Martin Lutz; Andreas W. Ehlers; J. Chris Slootweg; Koop Lammertsma","Preorganized Frustrated Lewis Pairs","Journal of the American Chemical Society","2012","134","","201","204","10.1021/ja210214r","","","0.71073","MoKα","","0.0488","0.0378","","","0.0904","0.094","","","","","","0.995","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117254","11.1839","0.0003","10.8709","0.0003","17.0362","0.0005","90","","90","","90","","2071.25","0.1","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H30 B O2 P -","- C22 H30 B O2 P -","- C88 H120 B4 O8 P4 -","4","1","","Federica Bertini; Volodymyr Lyaskovskyy; Brian J. J. Timmer; Frans J. J. de Kanter; Martin Lutz; Andreas W. Ehlers; J. Chris Slootweg; Koop Lammertsma","Preorganized Frustrated Lewis Pairs","Journal of the American Chemical Society","2012","134","","201","204","10.1021/ja210214r","","","0.71073","MoKα","","0.0294","0.0269","","","0.0684","0.0698","","","","","","1.023","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117255","10.3252","0.0005","24.9121","0.0013","11.3554","0.0006","90","","91.982","0.003","90","","2919.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N3 O4 Ru -","- C32 H41 N3 O4 Ru -","- C128 H164 N12 O16 Ru4 -","4","1","","Benjamin K. Keitz; Koji Endo; Paresma R. Patel; Myles B. Herbert; Robert H. Grubbs","Improved Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2012","134","","693","699","10.1021/ja210225e","","","0.71073","MoKα","","0.0491","0.0315","","","0.0583","0.0595","","","","","","1.778","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117256","11.672","0.002","13.994","0.003","21.103","0.004","98.55","0.03","94.22","0.03","90.92","0.03","3398.1","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H42 B Cl2 I N2 -","- C36 H40 B I N2 -","- C144 H160 B4 I4 N8 -","4","2","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71073","MoKα","","0.1406","0.0603","","","0.1263","0.155","","","","","","0.963","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117257","11.825","0.005","15.01","0.005","20.439","0.005","90","0.005","95.079","0.005","90","0.005","3614","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 Cl4 I6 N4 P2 -","- C64 H76 Cl4 I6 N4 P2 -","- C128 H152 Cl8 I12 N8 P4 -","2","0.5","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71069","MoKα","","0.1111","0.0453","","","0.1092","0.1399","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117258","12.625","0.005","14.448","0.005","23.312","0.005","100.255","0.005","95.94","0.005","109.231","0.005","3890","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H78 B2 Cl6 I7 N4 -","- C62 H72 B2 I7 N4 -","- C124 H144 B4 I14 N8 -","2","1","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71073","MoKα","","0.0798","0.0508","","","0.1529","0.1666","","","","","","1.035","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117259","12.794","0.003","16.144","0.003","17.155","0.003","90","","94.13","0.03","90","","3534.1","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H76 Cl4 I4 N4 Te2 -","- C64 H76 Cl4 I4 N4 Te2 -","- C128 H152 Cl8 I8 N8 Te4 -","2","0.5","","Kalyan V. Vasudevan; Michael Findlater; Ignacio Vargas-Baca; Alan H. Cowley","Tetrakis(imino)pyracene Complexes Exhibiting Multielectron Redox Processes","Journal of the American Chemical Society","2012","134","","176","178","10.1021/ja2102828","","","0.71069","MoKα","","0.1213","0.0469","","","0.0625","0.077","","","","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117260","13.1573","0.0004","23.1632","0.001","23.1529","0.0014","90","","94.162","0.0014","90","","7037.6","0.6","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H64 N6 O13 -","- C62 H60 N6 O13 -","- C248 H240 N24 O52 -","4","1","","Atsuya Muranaka; Shino Ohira; Daisuke Hashizume; Hiroyuki Koshino; Fumiko Kyotani; Machiko Hirayama; Masanobu Uchiyama","[18]/[20]π Hemiporphyrazine: A Redox-Switchable Near-Infrared Dye","Journal of the American Chemical Society","2012","134","","190","193","10.1021/ja210410c","","","0.71073","MoKα","","0.1907","0.1045","","","0.2829","0.3192","","","","","","0.926","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117261","23.7121","0.0009","30.4982","0.0014","7.9101","0.0004","90","","94.87","0.0018","90","","5699.7","0.4","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H59 N6 O11.5 -","- C62 H56 N6 O11.5 -","- C248 H224 N24 O46 -","4","0.5","","Atsuya Muranaka; Shino Ohira; Daisuke Hashizume; Hiroyuki Koshino; Fumiko Kyotani; Machiko Hirayama; Masanobu Uchiyama","[18]/[20]π Hemiporphyrazine: A Redox-Switchable Near-Infrared Dye","Journal of the American Chemical Society","2012","134","","190","193","10.1021/ja210410c","","","0.71073","MoKα","","0.1622","0.0993","","","0.2896","0.3577","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117262","11.2176","0.0009","11.7971","0.0009","12.231","0.0009","68.922","0.003","89.06","0.003","87.535","0.003","1508.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H23 B F10 P -","- C35 H23 B F10 P -","- C70 H46 B2 F20 P2 -","2","1","","Xiaoxi Zhao; Douglas W. Stephan","Correction to Olefin-Borane ""van der Waals Complexes"": Intermediates in Frustrated Lewis Pair Addition Reactions","Journal of the American Chemical Society","2012","134","","744","744","10.1021/ja210776r","","","0.71073","MoKα","","0.0529","0.0413","","","0.1145","0.1229","","","","","","1.032","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117263","10.2814","0.0007","17.2675","0.0012","18.1328","0.0013","84.142","0.006","82.53","0.006","75.825","0.005","3086.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H40 N O8 P Pd S -","- C29 H40 N O8 P Pd S -","- C116 H160 N4 O32 P4 Pd4 S4 -","4","2","","Tobias Friedberger; Philipp Wucher; Stefan Mecking","Mechanistic Insights into Polar Monomer Insertion Polymerization from Acrylamides","Journal of the American Chemical Society","2012","134","","1010","1018","10.1021/ja207110u","","","0.71073","MoKα","","0.0874","0.0575","","","0.1347","0.1473","","","","","","1.124","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117264","26.5717","0.0017","26.5717","0.0017","26.5717","0.0017","90","","90","","90","","18761","2","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C94 H42 Cl8.5 Fe12.5 N4 O60 -","- C94.26 H42 Cl8.42 Fe12.5 N4.02 O60 -","- C377.04 H168 Cl33.68 Fe50 N16.08 O240 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","1.54178","CuKα","","0.1278","0.0891","","","0.2543","0.2821","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117265","26.4292","0.0011","26.4292","0.0011","26.4292","0.0011","90","","90","","90","","18460.9","1.3","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C101.33 H75.5 Cl2.67 Co12.67 N5.33 O61.75 -","- C101.04 H48.24 Cl2.74 Co12.67 N5.28 O61.7 -","- C404.16 H192.96 Cl10.96 Co50.68 N21.12 O246.8 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.0997","0.0815","","","0.2452","0.2648","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117266","26.5974","0.0018","26.5974","0.0018","26.5974","0.0018","90","","90","","90","","18816","2","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C101.33 H72 Cl3.33 Mn12.67 N5.33 O60 -","- C101.04 H48.24 Cl3.38 Mn12.67 N5.28 O60 -","- C404.16 H192.96 Cl13.52 Mn50.68 N21.12 O240 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.1187","0.0925","","","0.2352","0.2601","","","","","","1.031","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117267","27.478","0.002","27.478","0.002","27.478","0.002","90","","90","","90","","20747","3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 Ni10.71 O81 -","- C72 H24 Ni10.78 O81.36 -","- C288 H96 Ni43.12 O325.44 -","4","0.0208333","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","1.54178","CuKα","","0.1329","0.1075","","","0.2816","0.2972","","","","","","1.091","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117268","19.653","0.003","44.127","0.006","14.543","0.002","90","","90","","90","","12612","3","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C108 H36 O91 Zn18.66 -","- C108 H36 O91 Zn18.67 -","- C216 H72 O182 Zn37.34 -","2","0.125","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Template-Directed Synthesis of Nets Based upon Octahemioctahedral Cages That Encapsulate Catalytically Active Metalloporphyrins","Journal of the American Chemical Society","2012","134","","928","933","10.1021/ja208256u","","","0.40663","synchrotron","","0.1357","0.1241","","","0.3302","0.3413","","","","","","1.061","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117269","29.342","0.004","17.0426","0.0017","34.304","0.003","90","","105.356","0.003","90","","16542","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H214 Co6 Er8 N0 O62 P6 -","- C104 H214 Co6 Er8 O62 P6 -","- C416 H856 Co24 Er32 O248 P24 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1117","0.0887","","","0.1767","0.187","","","","","","1.169","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117270","29.595","0.004","16.662","0.002","33.908","0.004","90","","105.099","0.002","90","","16143","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H214 Co6 N0 O62 P6 Yb8 -","- C104 H214 Co6 O62 P6 Yb8 -","- C416 H856 Co24 O248 P24 Yb32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1219","0.1098","","","0.2611","0.2696","","","","","","1.182","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117271","29.5082","0.0018","16.7659","0.001","34.054","0.002","90","","104.913","0.001","90","","16280.1","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H214 Co6 N0 O62 P6 Pr8 -","- C104 H214 Co6 O62 P6 Pr8 -","- C416 H856 Co24 O248 P24 Pr32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1772","0.125","","","0.3021","0.3311","","","","","","1.248","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117272","16.4943","0.0017","23.414","0.002","22.372","0.002","90","","97.078","0.002","90","","8574.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 N3.5 O60 P6 Tb8 -","- C111 H221.5 Co6 N3.5 O60 P6 Tb8 -","- C222 H443 Co12 N7 O120 P12 Tb16 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1112","0.0858","","","0.2081","0.2267","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117273","15.2822","0.0019","19.968","0.003","28.174","0.004","100.14","0.002","102.999","0.002","96.596","0.002","8139","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H191 Co4 Dy6 N3 O50 P6 -","- C123 H191 Co4 Dy6 N3 O50 P6 -","- C246 H382 Co8 Dy12 N6 O100 P12 -","2","1","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1754","0.1266","","","0.2948","0.3222","","","","","","1.147","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117274","21.4188","0.001","17.1961","0.001","14.1214","0.0008","90","","116.911","0.001","90","","4638","0.4","100","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H116 Co4 Gd2 N4 O26 P2 -","- C66 H116 Co4 Gd2 N4 O26 P2 -","- C132 H232 Co8 Gd4 N8 O52 P4 -","2","0.25","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0511","0.0473","","","0.1164","0.1192","","","","","","1.038","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117275","16.5791","0.0012","31.645","0.002","26.1091","0.0019","90","","98.798","0.001","90","","13536.9","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H176 Co8 N6 Nd2 O42 P4 -","- C110 H176 Co8 N6 Nd2 O42 P4 -","- C440 H704 Co32 N24 Nd8 O168 P16 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0858","0.0671","","","0.1563","0.1665","","","","","","1.098","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117276","16.519","0.002","23.373","0.003","22.376","0.003","90","","97.303","0.002","90","","8569.3","1.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 Dy8 N3.5 O60 P6 -","- C111 H222.46 Co6 Dy8 N3.5 O60 P6 -","- C222 H444.92 Co12 Dy16 N7 O120 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1499","0.1027","","","0.265","0.3141","","","","","","1.126","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117277","16.5349","0.0018","23.424","0.003","22.442","0.003","90","","96.906","0.002","90","","8629","1.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C111 H220.5 Co6 Gd8 N3.5 O60 P6 -","- C111 H221.5 Co6 Gd8 N3.5 O60 P6 -","- C222 H443 Co12 Gd16 N7 O120 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1092","0.0792","","","0.1992","0.227","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117278","16.4875","0.001","31.7246","0.0018","26.0325","0.0016","90","","99.152","0.001","90","","13443.2","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H176 Co8 Gd2 N6 O42 P4 -","- C108 H176 Co8 Gd2 N6 O42 P4 -","- C432 H704 Co32 Gd8 N24 O168 P16 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0738","0.0535","","","0.1406","0.155","","","","","","1.077","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117279","21.4188","0.001","17.1961","0.001","14.1214","0.0008","90","","116.911","0.001","90","","4638","0.4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H116 Co4 N4 Nd2 O26 P2 -","- C66 H116 Co4 N4 Nd2 O26 P2 -","- C132 H232 Co8 N8 Nd4 O52 P4 -","2","0.25","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0571","0.0499","","","0.1321","0.1376","","","","","","1.084","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117280","16.4893","0.001","23.3904","0.0014","22.4186","0.0014","90","","97.557","0.001","90","","8571.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C108 H222 Co6 Ho8 N2 O63 P6 -","- C108 H223 Co6 Ho8 N2 O63 P6 -","- C216 H446 Co12 Ho16 N4 O126 P12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1121","0.0659","","","0.1598","0.1866","","","","","","1.048","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117281","13.3959","0.0011","29.13","0.003","18.0769","0.0015","90","","97.55","0.001","90","","6992.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H174 Co4 N2 O46 P6 Tb6 -","- C116 H174 Co4 N2 O46 P6 Tb6 -","- C232 H348 Co8 N4 O92 P12 Tb12 -","2","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.0735","0.0644","","","0.1536","0.1582","","","","","","1.197","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117282","15.2003","0.0009","19.9855","0.0012","27.9447","0.0017","100.121","0.001","102.718","0.001","95.914","0.001","8062.8","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C125 H194 Co4 N4 O50 P6 Y6 -","- C125 H194 Co4 N4 O50 P6 Y6 -","- C250 H388 Co8 N8 O100 P12 Y12 -","2","1","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.2273","0.1091","","","0.278","0.3437","","","","","","1.085","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117283","35.3738","0.0017","20.4284","0.0009","24.9837","0.0012","90","","101.638","0.001","90","","17682.8","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 N4 O73 P8 Yb8 -","- C112 H222 Co8 N4 O73 P8 Yb8 -","- C448 H888 Co32 N16 O292 P32 Yb32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1061","0.0749","","","0.1789","0.2031","","","","","","1.044","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117284","35.477","0.007","20.541","0.005","25.02","0.006","90","","101.427","0.009","90","","17871","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H224 Co8 N4 O74 P8 Y8 -","- C112 H224 Co8 N4 O74 P8 Y8 -","- C448 H896 Co32 N16 O296 P32 Y32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.179","0.1116","","","0.2271","0.2824","","","","","","1.104","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117285","35.5222","0.0017","20.7264","0.0011","25.0267","0.0012","90","","102.029","0.001","90","","18021.3","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 N4 O73 P8 Tb8 -","- C112 H222 Co8 N4 O73 P8 Tb8 -","- C448 H888 Co32 N16 O292 P32 Tb32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1357","0.1003","","","0.2398","0.2754","","","","","","1.051","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117286","35.6135","0.0018","20.6435","0.001","24.9843","0.0012","90","","101.546","0.001","90","","17996.4","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H220 Co8 Dy8 N4 O72 P8 -","- C112 H220 Co8 Dy8 N4 O72 P8 -","- C448 H880 Co32 Dy32 N16 O288 P32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1642","0.0962","","","0.191","0.2301","","","","","","1.089","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117287","35.5392","0.0015","20.4949","0.0008","25.0246","0.001","90","","100.996","0.001","90","","17892.6","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Er8 N4 O73 P8 -","- C112 H222 Co8 Er8 N4 O73 P8 -","- C448 H888 Co32 Er32 N16 O292 P32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.101","0.0595","","","0.1508","0.1853","","","","","","1.025","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117288","35.466","0.003","20.601","0.002","24.959","0.002","90","","101.842","0.002","90","","17848","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H222 Co8 Ho8 N4 O73 P8 -","- C112 H222 Co8 Ho8 N4 O73 P8 -","- C448 H888 Co32 Ho32 N16 O292 P32 -","4","0.5","","Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny","Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants","Journal of the American Chemical Society","2012","134","","1057","1065","10.1021/ja208367k","","","0.71073","MoKα","","0.1163","0.0854","","","0.199","0.2272","","","","","","1.024","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117289","28.476","0.006","16.345","0.003","29.076","0.006","90","","117.13","0.03","90","","12044","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73.4 H149.6 Bi7.6 K4 La N9.4 O24 Sn6.1 -","- C73.4 H146.8 Bi7.6 K4 La N9.4 O24 Sn6.1 -","- C293.6 H587.2 Bi30.4 K16 La4 N37.6 O96 Sn24.4 -","4","1","","Felicitas Lips; Małgorzata Hołyńska; Rodolphe Clérac; Uwe Linne; Inga Schellenberg; Rainer Pöttgen; Florian Weigend; Stefanie Dehnen","Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@Sn7Bi7]4- and [Ln@Sn4Bi9]4- (Ln = La, Ce) with Adjustable Magnetic Properties","Journal of the American Chemical Society","2012","134","","1181","1191","10.1021/ja209226b","","","0.71073","MoKα","","0.1141","0.0826","","","0.2225","0.2537","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117290","28.489","0.006","16.305","0.003","29.025","0.006","90","","118.34","0.03","90","","11867","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73.4 H145.5 Bi8.22 Ce K4 N9.4 O24 Sn5.17 -","- C73.4 H144.8 Bi8.23 Ce K4 N9.4 O24 Sn5.18 -","- C293.6 H579.2 Bi32.92 Ce4 K16 N37.6 O96 Sn20.72 -","4","1","","Felicitas Lips; Małgorzata Hołyńska; Rodolphe Clérac; Uwe Linne; Inga Schellenberg; Rainer Pöttgen; Florian Weigend; Stefanie Dehnen","Doped Semimetal Clusters: Ternary, Intermetalloid Anions [Ln@Sn7Bi7]4- and [Ln@Sn4Bi9]4- (Ln = La, Ce) with Adjustable Magnetic Properties","Journal of the American Chemical Society","2012","134","","1181","1191","10.1021/ja209226b","","","0.71073","MoKα","","0.123","0.0759","","","0.1867","0.2247","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117291","15.4962","0.0007","15.4962","0.0007","13.7523","0.0012","90","","90","","90","","3302.4","0.4","296","2","296","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C9 H4 N12 Zn -","- C9 H4 N12 Zn -","- C36 H16 N48 Zn4 -","4","0.25","","Qipu Lin; Tao Wu; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Single-Walled Polytetrazolate Metal-Organic Channels with High Density of Open Nitrogen-Donor Sites and Gas Uptake","Journal of the American Chemical Society","2012","134","","784","787","10.1021/ja2092882","","","0.71073","MoKα","","0.0631","0.0372","","","0.0816","0.0847","","","","","","1.062","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117292","13.4239","0.0007","13.4239","0.0007","13.4239","0.0007","90","","90","","90","","2419","0.2","93","2","93","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C27 H39 N O U -","- C27 H39 N O U -","- C108 H156 N4 O4 U4 -","4","0.333333","","Nathan A. Siladke; Katie R. Meihaus; Joseph W. Ziller; Ming Fang; Filipp Furche; Jeffrey R. Long; William J. Evans","Synthesis, Structure, and Magnetism of an f Element Nitrosyl Complex, (C5Me4H)3UNO","Journal of the American Chemical Society","2012","134","","1243","1249","10.1021/ja2096128","","","0.71073","MoKα","","0.0164","0.0158","","","0.0339","0.0342","","","","","","1.098","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117293","13.314","0.0009","26.852","0.0016","15.605","0.0008","90","","118.268","0.004","90","","4913.6","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetrakis[2-(acetylthiomethyl)phenyl]porphyrin","","- C56 H46 N4 O4 S4 -","- C56 H46 N4 O4 S4 -","- C224 H184 N16 O16 S16 -","4","1","","Masanori Sakamoto; Daisuke Tanaka; Hironori Tsunoyama; Tatsuya Tsukuda; Yoshihiro Minagawa; Yutaka Majima; Toshiharu Teranishi","Platonic Hexahedron Composed of Six Organic Faces with an Inscribed Au Cluster","Journal of the American Chemical Society","2012","134","","816","819","10.1021/ja209634g","","","0.7107","MoKα","","0.1285","0.0688","","","0.1656","0.1973","","","","","","1.054","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117294","17.1599","0.0008","17.1599","0.0008","9.3979","0.0004","90","","90","","90","","2767.3","0.2","150","0.1","150","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","1,6,11,16-Tetrakis[2-(acethylthioethyl)phenyl]porphyrine","","- C62 H57 N5 O4 S4 -","- C60.5 H57 N4.25 O4 S4 -","- C121 H114 N8.5 O8 S8 -","2","0.25","","Masanori Sakamoto; Daisuke Tanaka; Hironori Tsunoyama; Tatsuya Tsukuda; Yoshihiro Minagawa; Yutaka Majima; Toshiharu Teranishi","Platonic Hexahedron Composed of Six Organic Faces with an Inscribed Au Cluster","Journal of the American Chemical Society","2012","134","","816","819","10.1021/ja209634g","","","0.71073","MoKα","","0.0647","0.0458","","","0.1124","0.1244","","","","","","0.978","","","","has coordinates,has disorder","178943","2020-10-21","18:00:00",""
"4117295","28.9318","0.0004","28.9318","0.0004","10.3646","0.0003","90","","90","","90","","8675.7","0.3","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C134 H125 Cd7 Cl5 N18 O40.5 -","- C134 H125 Cd7 Cl5 N18 O40.52 -","- C268 H250 Cd14 Cl10 N36 O81.04 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.0787","0.064","","","0.1574","0.1648","","","","","","1.097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117296","28.505","0.0017","28.505","0.0017","10.3718","0.0007","90","","90","","90","","8427.5","0.9","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C108 H78 Cl5 Mn7 N8 O35 -","- C108 H78 Cl5 Mn7 N8 O35.04 -","- C216 H156 Cl10 Mn14 N16 O70.08 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.0874","0.0685","","","0.1902","0.2012","","","","","","1.029","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117297","29.2846","0.0009","29.2846","0.0009","9.9941","0.0004","90","","90","","90","","8570.8","0.5","293","2","293","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C104 H64 Cd2 Cl4 Cu5 N8 O26.5 -","- C104 H64 Cd2 Cl4 Cu5 N8 O26.5 -","- C208 H128 Cd4 Cl8 Cu10 N16 O53 -","2","0.25","","Zhenjie Zhang; Linping Zhang; Lukasz Wojtas; Patrick Nugent; Mohamed Eddaoudi; Michael J. Zaworotko","Templated Synthesis, Postsynthetic Metal Exchange, and Properties of a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2012","134","","924","927","10.1021/ja209643b","","","1.54178","CuKα","","0.1211","0.0688","","","0.1403","0.1508","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117298","10.5512","0.0009","12.6165","0.001","13.158","0.0014","109.582","0.002","103.7","0.003","105.063","0.0009","1489.1","0.2","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H36 Cl3 Ir O P -","- C27.5 H36 Cl3 Ir O P -","- C55 H72 Cl6 Ir2 O2 P2 -","2","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Aroyl Chlorides and Aliphatic Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2012","134","","1268","1274","10.1021/ja209679c","","","0.7107","MoKα","","","0.0521","","","","0.1414","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117299","6.157","0.002","18.186","0.007","16.126","0.006","90","","90.867","0.005","90","","1805.4","1.1","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl O -","- C22 H23 Cl O -","- C88 H92 Cl4 O4 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Aroyl Chlorides and Aliphatic Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2012","134","","1268","1274","10.1021/ja209679c","","","0.7107","MoKα","","","0.0556","","","","0.1724","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117300","20.15","0.004","15.922","0.003","33.605","0.007","90","","90.57","0.03","90","","10781","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H46.5 Ag3.5 F7.5 N12 O8.5 S2.5 -","- C45 H46.5 Ag3.5 F7.5 N12 O8.5 S2.5 -","- C360 H372 Ag28 F60 N96 O68 S20 -","8","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage","Journal of the American Chemical Society","2012","134","","824","827","10.1021/ja209729h","","","0.71073","MoKα","","0.0645","0.0608","","","0.1615","0.1647","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117301","18.163","0.004","29.225","0.006","19.868","0.004","90","","98.3","0.03","90","","10436","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Ag4 F9 N12 O9.5 S3 -","- C41 H36 Ag4 F9 N12 O9.5 S3 -","- C328 H288 Ag32 F72 N96 O76 S24 -","8","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage","Journal of the American Chemical Society","2012","134","","824","827","10.1021/ja209729h","","","0.71073","MoKα","","0.1316","0.1179","","","0.2836","0.2949","","","","","","1.236","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117302","13.612","0.003","38.593","0.008","17.636","0.004","90","","97.5","0.03","90","","9185","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C77.32 H72 Ag5.29 F9.95 N24 O10.95 S3.32 -","- C77.317 H72 Ag5.291 F9.957 N24 O10.957 S3.317 -","- C309.268 H288 Ag21.164 F39.828 N96 O43.828 S13.268 -","4","1","","Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang","Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within a Supramolecular Cage","Journal of the American Chemical Society","2012","134","","824","827","10.1021/ja209729h","","","0.71073","MoKα","","0.1334","0.1143","","","0.272","0.2852","","","","","","1.193","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117303","13.5874","0.0003","6.739","0.0001","10.2833","0.0002","90","","90","","90","","941.6","0.03","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C12 H12 Ce2 O18 -","- C12 H12 Ce2 O18 -","- C24 H24 Ce4 O36 -","2","0.25","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0198","0.0174","","","0.0429","0.0441","","","","","","1.115","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117304","11.531","0.0003","11.531","0.0003","6.8198","0.0002","90","","90","","120","","785.3","0.04","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C12 H0 O31 U3 -","- C12 O30.9998 U3 -","- C12 O30.9998 U3 -","1","0.0833333","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71069","MoKα","","0.0478","0.045","","","0.0788","0.0792","","","","5.57","5.57","5.46","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4117305","15.5887","0.0005","11.6182","0.0003","13.1134","0.0003","90","","90","","90","","2375","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Ce O22.5 U2 -","- C12 Ce O22.5 U2 -","- C48 Ce4 O90 U8 -","4","0.5","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0289","0.0253","","","0.0717","0.0814","","","","","","1.258","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117306","15.578","0.003","11.628","0.002","13.065","0.003","90","","90","","90","","2366.6","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Nd O22.5 U2 -","- C12 Nd O22.5 U2 -","- C48 Nd4 O90 U8 -","4","0.5","","Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau","Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd)","Journal of the American Chemical Society","2012","134","","1275","1283","10.1021/ja209915n","","","0.71073","MoKα","","0.0337","0.0291","","","0.0793","0.0907","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117307","14.745","0.003","13.978","0.003","27.529","0.006","90","","95.71","0.03","90","","5646","2","148","2","148","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H65 Cl N4 O16 S -","- C52 H65 Cl N4 O17 S -","- C208 H260 Cl4 N16 O68 S4 -","4","2","","Jian Xie; Akinori Okano; Joshua G. Pierce; Robert C. James; Simon Stamm; Christine M. Crane; Dale L. Boger","Total Synthesis of [Ψ[C(=S)NH]Tpg4]Vancomycin Aglycon, [Ψ[C(=NH)NH]Tpg4]Vancomycin Aglycon, and Related Key Compounds: Reengineering Vancomycin for Dual d-Ala-d-Ala and d-Ala-d-Lac Binding","Journal of the American Chemical Society","2012","134","","1284","1297","10.1021/ja209937s","","","0.71073","MoKα","","0.1059","0.0853","","","0.213","0.2284","","","","","","1.11","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117308","6.4186","0.0016","7.4571","0.0017","12.041","0.003","90.538","0.019","96.938","0.019","103.547","0.019","555.8","0.2","293.1","","293","","","","100","","","","","4","P -1","-P 1","2","","","","- C18 H12 Ni S12 -","- C18 H12 Ni1.03 S12 -","- C18 H12 Ni1.03 S12 -","1","0.5","","Yuki Idobata; Biao Zhou; Akiko Kobayashi; Hayao Kobayashi","Molecular Alloy with Diluted Magnetic Moments-Molecular Kondo System","Journal of the American Chemical Society","2012","134","","871","874","10.1021/ja210019y","","","0.7107","MoKα","","","0.0991","","","","0.1678","","","","","","0.947","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117309","19.2247","0.0007","19.2247","0.0007","19.2247","0.0007","90","","90","","90","","7105.2","0.4","293","2","293","2","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C72 H145 B3 Co20 F12 N12 O73 -","- C72 H120 B3 Co20 F12 N12 O72 -","- C144 H240 B6 Co40 F24 N24 O144 -","2","0.0416667","","Liu-Cheng Gui; Xiu-Jian Wang; Qing-Ling Ni; Miao Wang; Fu-Pei Liang; Hua-Hong Zou","Nanospheric [M20(OH)12(maleate)12(Me2NH)12]4+ Clusters (M = Co, Ni) with Oh Symmetry","Journal of the American Chemical Society","2012","134","","852","854","10.1021/ja2100966","","","0.71073","MoKα","","0.0871","0.071","","","0.2271","0.2493","","","","","","1.139","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117310","18.9569","0.0002","18.9569","0.0002","18.9569","0.0002","90","","90","","90","","6812.43","0.12","150","2","293","2","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C72 H127 B3 F12 N12 Ni20 O64 -","- C72 H120 B3 F12 N12 Ni20 O63 -","- C144 H240 B6 F24 N24 Ni40 O126 -","2","0.0416667","","Liu-Cheng Gui; Xiu-Jian Wang; Qing-Ling Ni; Miao Wang; Fu-Pei Liang; Hua-Hong Zou","Nanospheric [M20(OH)12(maleate)12(Me2NH)12]4+ Clusters (M = Co, Ni) with Oh Symmetry","Journal of the American Chemical Society","2012","134","","852","854","10.1021/ja2100966","","","1.54178","CuKα","","0.1137","0.0985","","","0.3163","0.3326","","","","","","1.017","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117311","13.3663","0.0009","14.6427","0.001","14.7977","0.001","79.809","0.001","70.191","0.001","73.345","0.001","2600.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ru(3b-H)(PNNP)](PF6)","","","- C53 H49 Cl4 F6 N2 O3 P3 Ru -","- C53 H49 Cl4 F6 N2 O3 P3 Ru -","- C106 H98 Cl8 F12 N4 O6 P6 Ru2 -","2","1","","Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti","Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight","Journal of the American Chemical Society","2012","134","","1331","1343","10.1021/ja210372u","","","0.71073","MoKα","","0.0544","0.044","","","0.099","0.1043","","","","","","1.032","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117312","10.4554","0.0014","14.35","0.002","35.366","0.005","90","","95.133","0.003","90","","5284.9","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ru(3b-H)(PNNP)](PF6) (minor) (5c)","","","- C53 H51 Cl5 F6 N2 O3 P3 Ru -","- C52.75 H50.75 Cl5.25 F6 N2 O3 P3 Ru -","- C211 H203 Cl21 F24 N8 O12 P12 Ru4 -","4","1","","Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti","Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight","Journal of the American Chemical Society","2012","134","","1331","1343","10.1021/ja210372u","","","0.71073","MoKα","","0.1043","0.0818","","","0.1602","0.1692","","","","","","1.184","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117313","11.511","0.0007","13.8903","0.0008","20.6616","0.0012","96.886","0.001","93.755","0.001","113.085","0.001","2994.2","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","[Ru(6a)(PNNP)](PF6)2","","","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C56 H58 Cl4 F12 N2 O3 P4 Ru -","- C112 H116 Cl8 F24 N4 O6 P8 Ru2 -","2","1","","Christoph Schotes; Martin Althaus; Raphael Aardoom; Antonio Mezzetti","Asymmetric Diels-Alder and Ficini Reactions with Alkylidene β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes: Mechanistic Insight","Journal of the American Chemical Society","2012","134","","1331","1343","10.1021/ja210372u","","","0.71073","MoKα","","0.0559","0.0504","","","0.129","0.1337","","","","","","1.021","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117314","10.086","0.002","11.779","0.002","17.97","0.003","85.97","0.02","73.83","0.02","66.45","0.02","1877.6","0.7","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 Li4 O4 S4 -","- C32 H52 Li4 O4 S4 -","- C64 H104 Li8 O8 S8 -","2","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.062","0.0429","","","0.1055","0.1163","","","","","","1.066","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117315","9.303","0.002","9.531","0.003","14.945","0.002","97.29","0.02","97.15","0.02","98.03","0.02","1287.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Li2 O4 S2 -","- C24 H38 Li2 O4 S2 -","- C48 H76 Li4 O8 S4 -","2","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.041","0.0362","","","0.0916","0.0943","","","","","","1.048","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117316","8.625","0.002","10.471","0.002","12.749","0.002","76.66","0.02","81.73","0.02","67.47","0.02","1032.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C16 H26 Li2 O4 S2 -","- C16 H26 Li2 O4 S2 -","- C32 H52 Li4 O8 S4 -","2","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.0538","0.0421","","","0.1108","0.1184","","","","","","1.045","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117317","8.466","0.002","15.573","0.003","12.226","0.002","90","","93.36","0.02","90","","1609.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Li N3 S -","- C13 H26 Li N3 S -","- C52 H104 Li4 N12 S4 -","4","1","","Markus Granitzka; Ann-Christin Pöppler; Eike K. Schwarze; Daniel Stern; Thomas Schulz; Michael John; Regine Herbst-Irmer; Sushil K. Pandey; Dietmar Stalke","Aggregation of Donor Base Stabilized 2-Thienyllithium in a Single Crystal and in Solution: Distances from X-ray Diffraction and the Nuclear Overhauser Effect","Journal of the American Chemical Society","2012","134","","1344","1351","10.1021/ja210382c","","","0.71073","MoKα","","0.0467","0.0332","","","0.0814","0.0863","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117318","43.839","0.009","12.063","0.003","27.251","0.006","90","","100.738","0.003","90","","14159","6","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H111.5 F3.5 N2 O3 S Si12 -","- C49.5 H107 F3.5 N2 O3 S Si12 -","- C396 H856 F28 N16 O24 S8 Si96 -","8","1","","Torahiko Yamaguchi; Matthew Asay; Akira Sekiguchi","[[(Me3Si)2CH]2iPrSi(NHC)Si=Si(Me)SiiPr[CH(SiMe3)2]2]+: A Molecule with Disilenyl Cation Character","Journal of the American Chemical Society","2012","134","","886","889","10.1021/ja210669n","","","0.71073","MoKα","","0.1511","0.0636","","","0.1362","0.1794","","","","","","0.967","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117319","5.6703","0.0004","20.4999","0.0013","23.5934","0.0016","90","","90","","90","","2742.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O12 -","- C27 H36 N2 O12 -","- C108 H144 N8 O48 -","4","1","","Akihiko Yamamoto; Atsushi Ueda; Paul Brémond; Paolo S. Tiseni; Yoshito Kishi","Total Synthesis of Halichondrin C","Journal of the American Chemical Society","2012","134","","893","896","10.1021/ja2108307","","","1.54178","CuKα","","0.0562","0.041","","","0.0952","0.1042","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117320","6.9538","0.0002","14.2273","0.0004","35.8922","0.0008","90","","90","","90","","3550.95","0.16","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C152 H160 I8 N8 O8 -","8","2","","Seiji Shirakawa; Kun Liu; Keiji Maruoka","Catalytic Asymmetric Synthesis of Axially Chiralo-Iodoanilides by Phase-Transfer Catalyzed Alkylations","Journal of the American Chemical Society","2012","134","","916","919","10.1021/ja211069f","","","1.54187","CuKα","","","0.0529","","","","0.1455","","","","","","0.836","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117321","16.2335","0.0003","20.7081","0.0004","18.2329","0.0004","90","","98.435","0.007","90","","6063","0.2","153","","153","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C61 H51 F12 I N2 O -","- C61 H51 F12 I N2 O -","- C244 H204 F48 I4 N8 O4 -","4","1","","Seiji Shirakawa; Kun Liu; Keiji Maruoka","Catalytic Asymmetric Synthesis of Axially Chiralo-Iodoanilides by Phase-Transfer Catalyzed Alkylations","Journal of the American Chemical Society","2012","134","","916","919","10.1021/ja211069f","","","1.54187","CuKα","","","0.1197","","","","0.3059","","","","","","0.967","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117322","12.992","0.002","8.1737","0.0013","18.325","0.003","90","","100.929","0.003","90","","1910.7","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C80 H100 F12 O12 -","4","2","","Jun Deng; Bo Zhu; Zhaoyong Lu; Haixin Yu; Ang Li","Total Synthesis of (-)-Fusarisetin A and Reassignment of the Absolute Configuration of Its Natural Counterpart","Journal of the American Chemical Society","2012","134","","920","923","10.1021/ja211444m","","","0.71073","MoKα","","0.0814","0.0476","","","0.1112","0.1326","","","","","","1.027","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117323","10.0249","0.0008","17.349","0.0014","11.815","0.001","90","","95.166","0.002","90","","2046.5","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O5 -","- C22 H31 N O5 -","- C88 H124 N4 O20 -","4","2","","Jun Deng; Bo Zhu; Zhaoyong Lu; Haixin Yu; Ang Li","Total Synthesis of (-)-Fusarisetin A and Reassignment of the Absolute Configuration of Its Natural Counterpart","Journal of the American Chemical Society","2012","134","","920","923","10.1021/ja211444m","","","0.71073","MoKα","","0.0414","0.035","","","0.0973","0.1049","","","","","","1.064","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117324","11.5249","0.0003","17.7132","0.0005","18.2114","0.0005","65.7496","0.0016","86.9628","0.0017","77.0815","0.0015","3300.72","0.16","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C80 H62 Cl2 N4 -","- C68 H52 N4 -","- C136 H104 N8 -","2","1","","Derik K. Frantz; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Molecular Spur Gears Comprising Triptycene Rotators and Bibenzimidazole-Based Stators","Journal of the American Chemical Society","2012","134","","1528","1535","10.1021/ja2063346","","","0.71073","MoKα","","0.1116","0.0788","","","0.2331","0.2575","","","","","","1.049","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117325","13.829","0.003","15.179","0.004","8.489","0.002","90","","90.322","0.004","90","","1781.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 O4 Pb S4 -","- C14 H16 O4 Pb S4 -","- C56 H64 O16 Pb4 S16 -","4","0.5","","Jun He; Matthias Zeller; Allen D. Hunter; Zhengtao Xu","White Light Emission and Second Harmonic Generation from Secondary Group Participation (SGP) in a Coordination Network","Journal of the American Chemical Society","2012","134","","1553","1559","10.1021/ja2073559","","","0.71073","MoKα","","0.047","0.0432","","","0.1116","0.1135","","","","","","1.153","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117326","9.4828","0.0011","16.6237","0.0019","10.352","0.0012","90","","101.619","0.002","90","","1598.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 O6 Pb S2 -","- C14 H16 O6 Pb S2 -","- C56 H64 O24 Pb4 S8 -","4","2","","Jun He; Matthias Zeller; Allen D. Hunter; Zhengtao Xu","White Light Emission and Second Harmonic Generation from Secondary Group Participation (SGP) in a Coordination Network","Journal of the American Chemical Society","2012","134","","1553","1559","10.1021/ja2073559","","","0.71073","MoKα","","0.0383","0.0322","","","0.0512","0.0545","","","","","","0.874","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117327","47.632","0.01","11.154","0.002","14.125","0.003","90","","90","","90","","7504","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H36 Cl2 N2 O4 Pd2 -","- C41 H36 Cl2 N2 O4 Pd2 -","- C328 H288 Cl16 N16 O32 Pd16 -","8","2","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","0.71073","MoKα","","0.0878","0.0646","","","0.1514","0.166","","","","","","1.055","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117328","9.5821","0.0005","8.8103","0.0006","19.6995","0.0011","90","","91.119","0.004","90","","1662.74","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-43","","","- C36 H28 Cl2 N2 Pd2 -","- C36 H28 Cl2 N2 Pd2 -","- C72 H56 Cl4 N4 Pd4 -","2","0.5","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","1.54178","CuKα","","0.0405","0.0332","","","0.082","0.085","","","","","","0.994","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117329","8.8002","0.0012","13.2695","0.0019","8.9052","0.0013","90","","113.995","0.005","90","","950","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-41","","","- C24 H27 Cl0 N -","- C24 H27 N -","- C48 H54 N2 -","2","1","","Djamaladdin G. Musaev; Alexey Kaledin; Bing-Feng Shi; Jin-Quan Yu","Key Mechanistic Features of Enantioselective C-H Bond Activation Reactions Catalyzed by [(Chiral Mono-N-Protected Amino Acid)-Pd(II)] Complexes","Journal of the American Chemical Society","2012","134","","1690","1698","10.1021/ja208661v","","","1.54178","CuKα","","0.0322","0.0307","","","0.0744","0.0756","","","","","","1.08","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117330","22.217","0.008","25.49","0.009","37.77","0.015","75.41","0.02","85.28","0.02","83.71","0.02","20542","13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- As6 H240 K3.5 Mo18 Na32.5 O336 S18 W54 -","- As6 Mo18 Na8.25 O261 S18 W54 -","- As12 Mo36 Na16.5 O522 S36 W108 -","2","1","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1535","0.0731","","","0.1937","0.2562","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117331","39.7619","0.0008","37.8141","0.001","25.0128","0.0005","90","","90","","90","","37608.3","1.5","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- As6 H392 K Li35 Mo18 O412 S18 W54 -","- As6 Li6 Mo18 O309 S18 W54 -","- As24 Li24 Mo72 O1236 S72 W216 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1113","0.0551","","","0.1506","0.2065","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117332","21.112","0.0009","44.991","0.0017","38.4158","0.0013","90","","96.196","0.002","90","","36276","2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- As6 H192 K34.5 Mo18 Na1.5 O312 S18 W54 -","- As6 K28.5 Mo18 O278.38 S18 W54 -","- As24 K114 Mo72 O1113.52 S72 W216 -","4","1","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.0775","0.0445","","","0.1235","0.1521","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117333","47.4379","0.001","18.6347","0.0003","36.2086","0.0007","90","","127.567","0.001","90","","25370.9","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- As4 H214 Li10 Mo12 O246 Rb14 S12 W36 -","- As4 Mo12 O183.4 Rb9.9 S12 W36 -","- As16 Mo48 O733.6 Rb39.6 S48 W144 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1008","0.0588","","","0.1731","0.2178","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117334","47.2304","0.0005","18.6529","0.0003","36.3782","0.0001","90","","126.753","0.001","90","","25678.1","0.6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- As4 Cs15 H128 Li9 Mo12 O208 S12 W36 -","- As4 Cs12.9 Mo12 O165 S12 W36 -","- As16 Cs51.6 Mo48 O660 S48 W144 -","4","0.5","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.1091","0.059","","","0.1605","0.1797","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117335","22.818","0.003","22.818","0.003","21.265","0.004","90","","90","","120","","9589","3","296","2","296","2","","","","","","","","8","P -6 2 m","P -6 -2","189","","","","- As2 Cs9 H74 Li3 Mo6 O109 S6 W18 -","- As2 Cs7 Li1.5 Mo6 O79.5 S6 W18 -","- As4 Cs14 Li3 Mo12 O159 S12 W36 -","2","0.166667","","Jérôme Marrot; Marie Anne Pilette; Mohamed Haouas; Sébastien Floquet; Francis Taulelle; Xavier López; Josep M. Poblet; Emmanuel Cadot","Polyoxometalates Paneling through {Mo~2~O~2~S~2~} Coordination: Cation-Directed Conformations and Chemistry of a Supramolecular Hexameric Scaffold","Journal of the American Chemical Society","2012","134","","1724","1737","10.1021/ja2090383","","","0.71073","MoKα","","0.0939","0.0531","","","0.1399","0.2021","","","","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117336","8.117","0.015","8.117","0.015","7.531","0.014","90","","90","","120","","429.7","1.4","150","2","150","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","nickel(II) hydrazine nitrate","","","- H12 N8 Ni O6 -","- H12 N8 Ni O6 -","- H24 N16 Ni2 O12 -","2","0.166667","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.0549","0.047","","","0.1185","0.1253","","","","","","1.089","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117337","5.1719","0.0003","16.3158","0.0011","8.5974","0.0006","90","","100.738","0.001","90","","712.78","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cobalt(II) hydrazine perchlorate","","","- Cl2 Co H20 N10 O8 -","- Cl2 Co H20 N10 O8 -","- Cl4 Co2 H40 N20 O16 -","2","0.5","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.025","0.0216","","","0.0521","0.0536","","","","","","1.063","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117338","5.1131","0.0005","16.2669","0.0015","8.5573","0.0008","90","","100.487","0.001","90","","699.86","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nickel(II) hydrazine perchlorate","","","- Cl2 H20 N10 Ni O8 -","- Cl2 H20 N10 Ni O8 -","- Cl4 H40 N20 Ni2 O16 -","2","0.5","","Oleksandr S. Bushuyev; Preston Brown; Amitesh Maiti; Richard H. Gee; Geneva R. Peterson; Brandon L. Weeks; Louisa J. Hope-Weeks","Ionic Polymers as a New Structural Motif for High-Energy-Density Materials","Journal of the American Chemical Society","2012","134","","1422","1425","10.1021/ja209640k","","","0.71073","MoKα","","0.0207","0.0195","","","0.0484","0.0491","","","","","","1.049","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117339","9.11","0.009","16.152","0.015","24.27","0.02","90","","90","","90","","3571","6","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H49 Cl F6 N2 P2 Rh Sb -","- C30 H49 Cl F6 N2 P2 Rh Sb -","- C120 H196 Cl4 F24 N8 P8 Rh4 Sb4 -","4","1","","Tsuneo Imamoto; Ken Tamura; Zhenfeng Zhang; Yumi Horiuchi; Masashi Sugiya; Kazuhiro Yoshida; Akira Yanagisawa; Ilya D. Gridnev","Rigid P-Chiral Phosphine Ligands with tert-Butylmethylphosphino Groups for Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Alkenes","Journal of the American Chemical Society","2012","134","","1754","1769","10.1021/ja209700j","","","0.71073","MoKα","","0.0552","0.0386","","","0.0497","0.0531","","","","","","1.154","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117340","10.5466","0.0012","18.26","0.002","19.653","0.002","85.338","0.003","76.63","0.003","77.25","0.004","3589.6","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H91 N7 O9 -","- C84 H91 N7 O9 -","- C168 H182 N14 O18 -","2","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71073","MoKα","","0.1424","0.0867","","","0.1522","0.1743","","","","","","1.102","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117341","15.832","0.002","34.502","0.004","15.103","0.002","90","","90.1","0.004","90","","8249.8","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H72 Cl Cs N4 O12 -","- C80 H82 Cl4 Cs N4 O11 -","- C320 H328 Cl16 Cs4 N16 O44 -","4","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71069","MoKα","","0.0968","0.088","","","0.2307","0.2425","","","","","","1.468","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117342","19.4783","0.0006","11.2499","0.0003","34.8595","0.001","90","","103.196","0.002","90","","7437","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H102 Cs N5 O13 -","- C80 H87 Cs N5 O13 -","- C320 H348 Cs4 N20 O52 -","4","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71074","MoKα","","0.082","0.0572","","","0.1586","0.1682","","","","","","1.078","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117343","15.839","0.002","14.841","0.002","35.024","0.004","90","","93.29","0.004","90","","8219.4","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81.5 H91 Cl3 K N5 O13 -","- C81.5 H88 Cl3 K N5 O13 -","- C326 H352 Cl12 K4 N20 O52 -","4","1","","Sung Kuk Kim; Gabriela I. Vargas-Zúñiga; Benjamin P. Hay; Neil J. Young; Laetitia H. Delmau; Charles Masselin; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Bruce A. Moyer; Jonathan L. Sessler","Controlling Cesium Cation Recognition via Cation Metathesis within an Ion Pair Receptor","Journal of the American Chemical Society","2012","134","","1782","1792","10.1021/ja209706x","","","0.71074","MoKα","","0.3493","0.1751","","","0.3201","0.3622","","","","","","1.699","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117344","36.258","0.003","36.258","0.003","27.251","0.002","90","","90","","90","","35825","5","100","2","100","2","","","","","","","","5","I -4 2 m","I -4 2","121","U1U2840R","","","- K50.93 N16 Na0 O364 U68.49 -","- K50.96 N16 O364 U68.495 -","- K101.92 N32 O728 U136.99 -","2","0.125","","Jie Qiu; Jie Ling; Audrey Sui; Jennifer E. S. Szymanowski; Antonio Simonetti; Peter C. Burns","Time-Resolved Self-Assembly of a Fullerene-Topology Core-Shell Cluster Containing 68 Uranyl Polyhedra","Journal of the American Chemical Society","2012","134","","1810","1816","10.1021/ja210163b","","","0.71073","MoKα","","0.1301","0.0769","","","0.1957","0.2511","","","","","","1.177","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117345","14.484","0.003","32.495","0.007","22.293","0.005","90","","99.43","0.03","90","","10351","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H115 Cl3 F12 N8 O19 P2 -","- C95 H115 Cl3 F12 N8 O19 P2 -","- C380 H460 Cl12 F48 N32 O76 P8 -","4","1","","Wei Jiang; Karol Nowosinski; Nora L. Löw; Egor V. Dzyuba; Fabian Klautzsch; Andreas Schäfer; Juhani Huuskonen; Kari Rissanen; Christoph A. Schalley","Chelate Cooperativity and Spacer Length Effects on the Assembly Thermodynamics and Kinetics of Divalent Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","1860","1868","10.1021/ja2107096","","","1.54178","CuKα","","0.1933","0.1132","","","0.3079","0.3648","","","","","","1.149","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117346","7.378","0.0015","11.193","0.002","41.95","0.008","90","","90.21","0.03","90","","3464.3","1.1","373","2","373","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","4","","Allan, Kevin M.; Kobayashi, Kenichi; Rawal, Viresh H.","A Unified Route to the Welwitindolinone Alkaloids: Total Syntheses of (-)-N-Methylwelwitindolinone C Isothiocyanate, (-)-N-Methylwelwitindolinone C Isonitrile, and (-)-3-Hydroxy-N-methylwelwitindolinone C Isothiocyanate","Journal of the American Chemical Society","2012","134","3","1392","1395","10.1021/ja210793x","","","0.71073","MoKα","","0.1265","0.0638","","","0.097","0.1149","","","","","","0.771","","","","has coordinates","219251","2020-10-21","18:00:00",""
"4117347","9.482","0.002","20.878","0.005","11.974","0.002","90","","121.67","0.014","90","","2017.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl N2 O3 S -","- C22 H21 Cl N2 O3 S -","- C88 H84 Cl4 N8 O12 S4 -","4","1","","Allan, Kevin M.; Kobayashi, Kenichi; Rawal, Viresh H.","A Unified Route to the Welwitindolinone Alkaloids: Total Syntheses of (-)-N-Methylwelwitindolinone C Isothiocyanate, (-)-N-Methylwelwitindolinone C Isonitrile, and (-)-3-Hydroxy-N-methylwelwitindolinone C Isothiocyanate","Journal of the American Chemical Society","2012","134","3","1392","1395","10.1021/ja210793x","","","0.71073","MoKα","","0.1151","0.0582","","","0.1051","0.118","","","","","","0.796","","","","has coordinates","219251","2020-10-21","18:00:00",""
"4117348","8.6672","0.0005","11.6307","0.0012","40.054","0.005","90","","93.283","0.009","90","","4031","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 N4 O V -","- C48 H57 N4 O V -","- C192 H228 N16 O4 V4 -","4","1","","Alexander G. Tskhovrebov; Euro Solari; Matthew D. Wodrich; Rosario Scopelliti; Kay Severin","Sequential N-O and N-N Bond Cleavage of N-Heterocyclic Carbene-Activated Nitrous Oxide with a Vanadium Complex","Journal of the American Chemical Society","2012","134","","1471","1473","10.1021/ja210976a","","","0.71073","MoKα","","0.0862","0.0768","","","0.165","0.1702","","","","","","1.169","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117349","10.984","0.003","11.655","0.004","18.774","0.008","85.57","0.03","79.28","0.03","62.45","0.03","2093.6","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 N4 O V -","- C48 H57 N4 O V -","- C96 H114 N8 O2 V2 -","2","1","","Alexander G. Tskhovrebov; Euro Solari; Matthew D. Wodrich; Rosario Scopelliti; Kay Severin","Sequential N-O and N-N Bond Cleavage of N-Heterocyclic Carbene-Activated Nitrous Oxide with a Vanadium Complex","Journal of the American Chemical Society","2012","134","","1471","1473","10.1021/ja210976a","","","0.71073","MoKα","","0.1421","0.0683","","","0.1002","0.1205","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117350","5.8691","0.0002","11.2351","0.0004","14.3074","0.0005","90","","97.202","0.002","90","","935.99","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 S -","- C21 H24 O3 S -","- C42 H48 O6 S2 -","2","1","","Barry M. Trost; Aaron C. Burns; Mark J. Bartlett; Thomas Tautz; Andrew H. Weiss","Thionium Ion Initiated Medium-Sized Ring Formation: The Total Synthesis of Asteriscunolide D","Journal of the American Chemical Society","2012","134","","1474","1477","10.1021/ja210986f","","","1.54178","CuKα","","0.0364","0.0347","","","0.087","0.0883","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117351","10.842","0.0004","22.6464","0.0007","14.5229","0.0005","90","","98.322","0.002","90","","3528.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H102 N4 Ni2 O2 -","- C82 H102 N4 Ni2 O2 -","- C164 H204 N8 Ni4 O4 -","2","0.5","","Madalyn R. Radlauer; Michael W. Day; Theodor Agapie","Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases","Journal of the American Chemical Society","2012","134","","1478","1481","10.1021/ja210990t","","","0.71073","MoKα","","0.0909","0.0628","","","0.0754","0.0759","","","","","","3.87","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117352","17.1455","0.001","18.0109","0.001","23.4009","0.0013","70.258","0.003","72.094","0.003","84.191","0.003","6472.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H92 N4 Ni2 O2 -","- C70.5 H92 N4 Ni2 O2 -","- C282 H368 N16 Ni8 O8 -","4","2","","Madalyn R. Radlauer; Michael W. Day; Theodor Agapie","Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases","Journal of the American Chemical Society","2012","134","","1478","1481","10.1021/ja210990t","","","0.71073","MoKα","","0.1363","0.0558","","","0.0618","0.0655","","","","","","1.277","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117353","9.7952","0.0005","22.8485","0.0013","14.6159","0.0007","90","","96.415","0.003","90","","3250.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H102 N4 Ni2 O2 -","- C68 H102 N4 Ni2 O2 -","- C136 H204 N8 Ni4 O4 -","2","0.5","","Madalyn R. Radlauer; Michael W. Day; Theodor Agapie","Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases","Journal of the American Chemical Society","2012","134","","1478","1481","10.1021/ja210990t","","","0.71073","MoKα","","0.155","0.0705","","","0.0872","0.0917","","","","","","2.064","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117354","13.046","0.003","13.991","0.003","16.446","0.003","90","","90","","90","","3001.8","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","complex 5","","- C32 H32 F6 N2 Rh Sb -","- C32 H32 F6 N2 Rh Sb -","- C128 H128 F24 N8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0215","0.0198","","","0.0453","0.0468","","","","","","1.08","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117355","18.4587","0.0008","10.7989","0.0005","17.594","0.0009","90","","103.395","0.002","90","","3411.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","complex 4a","complex 4a","","- C35 H36 F6 N2 O2 Rh S Sb -","- C35 H36 F6 N2 O2 Rh S Sb -","- C140 H144 F24 N8 O8 Rh4 S4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0643","0.0374","","","0.0608","0.0686","","","","","","1.013","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117356","20.9479","0.0015","10.8946","0.0003","17.4188","0.0004","90","","110.357","0.008","90","","3727","0.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","complex 4c","","","- C34 H37 F9 N2 O2 Rh Sb -","- C34 H37 F9 N2 O2 Rh Sb -","- C136 H148 F36 N8 O8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","1.54187","CuKα","","","0.0922","","","","0.2446","","","","","","1.035","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117357","18.8446","0.0009","9.9469","0.0004","19.9152","0.0009","90","","100.066","0.001","90","","3675.5","0.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","complex 4d","complex 4d","","- C33 H38 Cl2 F6 N2 O2 Rh Sb -","- C33 H38 Cl2 F6 N2 O2 Rh Sb -","- C132 H152 Cl8 F24 N8 O8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0289","0.0225","","","0.0636","0.0681","","","","","","1.059","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117358","4.0541","0.0008","6.6842","0.0013","13.04","0.003","103.999","0.002","97.334","0.002","91.227","0.002","339.56","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H4 F2 N2 -","- C7 H4 F2 N2 -","- C14 H8 F4 N4 -","2","1","","Yuta Fujiwara; Janice A. Dixon; Rodrigo A. Rodriguez; Ryan D. Baxter; Darryl D. Dixon; Michael R. Collins; Donna G. Blackmond; Phil S. Baran","A New Reagent for Direct Difluoromethylation","Journal of the American Chemical Society","2012","134","","1494","1497","10.1021/ja211422g","","","0.71073","MoKα","","0.0527","0.0409","","","0.1142","0.123","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117359","9.2688","0.0003","9.2688","0.0003","88.532","0.003","90","","90","","120","","6586.9","0.4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H18 F12 O18 S6 Zn3 -","- C6 H18 F12 O18 S6 Zn3 -","- C54 H162 F108 O162 S54 Zn27 -","9","0.5","","Yuta Fujiwara; Janice A. Dixon; Rodrigo A. Rodriguez; Ryan D. Baxter; Darryl D. Dixon; Michael R. Collins; Donna G. Blackmond; Phil S. Baran","A New Reagent for Direct Difluoromethylation","Journal of the American Chemical Society","2012","134","","1494","1497","10.1021/ja211422g","","","1.54178","CuKα","","0.1124","0.0935","","","0.2759","0.3022","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117360","6.8101","0.0006","13.0126","0.001","12.828","0.001","90","","93.991","0.002","90","","1134.02","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br O6 -","- C24 H25 Br O6 -","- C48 H50 Br2 O12 -","2","1","","Barry M. Trost; Sushant Malhotra; Philipp Koschker; Pascal Ellerbrock","Development of the Enantioselective Addition of Ethyl Diazoacetate to Aldehydes: Asymmetric Synthesis of 1,2-Diols","Journal of the American Chemical Society","2012","134","","2075","2084","10.1021/ja206995s","","","0.71073","MoKα","","0.0514","0.036","","","0.0578","0.0627","","","","","","0.906","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117361","6.9163","0.0003","20.5882","0.0008","9.3847","0.0003","90","","95.402","0.002","90","","1330.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C52 H60 N4 O24 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0536","0.0424","","","0.0612","0.0618","","","","","","2.394","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117362","9.8372","0.0004","7.2818","0.0003","11.6037","0.0005","90","","108.626","0.002","90","","787.67","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0564","0.0456","","","0.0767","0.0781","","","","","","1.822","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117363","7.6944","0.0003","9.6777","0.0003","26.3981","0.0009","90","","90","","90","","1965.71","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O6 S4 -","- C18 H16 N2 O6 S4 -","- C72 H64 N8 O24 S16 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0483","0.0433","","","0.0639","0.0642","","","","","","2.797","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117364","20.744","0.004","7.7389","0.0015","12.557","0.003","90","","97.41","0.03","90","","1999","0.7","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H23 N2 O9 -","- C21 H23 N2 O9 -","- C84 H92 N8 O36 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0724","0.0475","","","0.057","0.0586","","","","","","2.523","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117365","8.7348","0.0006","8.7348","0.0006","15.697","0.003","90","","90","","90","","1197.6","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Cs Ga5 Se10 -","- Ba3 Cl2 Cs Ga5 Se10 -","- Ba6 Cl4 Cs2 Ga10 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0242","0.0232","","","0.051","0.0516","","","","","","1.068","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117366","8.6629","0.0004","8.6629","0.0004","15.6379","0.0013","90","","90","","90","","1173.56","0.12","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Ga5 Rb Se10 -","- Ba3 Cl2 Ga5 Rb Se10 -","- Ba6 Cl4 Ga10 Rb2 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0204","0.0194","","","0.0397","0.0399","","","","","","0.983","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117367","8.6341","0.0007","8.6341","0.0007","15.644","0.002","90","","90","","90","","1166.2","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- Ba3 Cl2 Ga5 K Se10 -","- Ba3 Cl2 Ga5 K Se10 -","- Ba6 Cl4 Ga10 K2 Se20 -","2","0.25","","Peng Yu; Liu-Jiang Zhou; Ling Chen","Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)","Journal of the American Chemical Society","2012","134","","2227","2235","10.1021/ja209711x","","","0.71073","MoKα","","0.0275","0.0247","","","0.0442","0.0448","","","","","","0.937","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117368","10.66744","0.00032","7.60223","0.00023","7.40713","0.00022","90","","92.4379","0.0028","90","","600.15","0.03","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 Mn N3 Na O -","- C3 Mn N3 Na O -","- C12 Mn4 N12 Na4 O4 -","4","1","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.697106","synchrotron","","","","","","","","","","1.714","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117369","10.62816","0.00032","7.52341","0.00023","7.38769","0.00022","90","","92.4366","0.0028","90","","590.19","0.03","15","","15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 Mn N3 Na O -","- C3 Mn N3 Na O -","- C12 Mn4 N12 Na4 O4 -","4","1","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.700015","synchrotron","","","","","","","","","","1.863","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117370","6.6166","0.0003","6.6166","0.0003","19.2585","0.0009","90","","90","","120","","730.17","0.06","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C3 Mn N3 Na -","- C3 Mn N3 Na -","- C18 Mn6 N18 Na6 -","6","0.333333","","Christopher M. Kareis; Saul H. Lapidus; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller","Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[MnII(CN)6] and Na2MnII[MnII(CN)6].2H2O","Journal of the American Chemical Society","2012","134","","2246","2254","10.1021/ja209799y","powder diffraction","","0.699994","synchrotron","","","","","","","","","","1.274","","","","","","","has coordinates,has Fobs","178944","2020-10-21","18:00:00",""
"4117371","50.6795","0.0007","50.6795","0.0007","50.6795","0.0007","90","","90","","90","","130166","3","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 In20 Mg16 N4 O224 -","- C252 In20.04 Mg15.96 O224 -","- C2016 In160.32 Mg127.68 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1329","0.0938","","","0.2608","0.2811","","","","","","1.018","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117372","50.9199","0.0004","50.9199","0.0004","50.9199","0.0004","90","","90","","90","","132027","1.8","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 In20 Mn16 N4 O224 -","- C252 In20.04 Mn15.96 O224 -","- C2016 In160.32 Mn127.68 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1178","0.08","","","0.218","0.2405","","","","","","1.024","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117373","50.5222","0.0003","50.5222","0.0003","50.5222","0.0003","90","","90","","90","","128958","1.3","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 Co16 In20 N4 O224 -","- C252 Co15.96 In20.04 O224 -","- C2016 Co127.68 In160.32 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1027","0.0754","","","0.2266","0.244","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117374","50.5129","0.0003","50.5129","0.0003","50.5129","0.0003","90","","90","","90","","128886","1.3","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 In20 N4 Ni16 O224 -","- C252 In20.04 Ni15.96 O224 -","- C2016 In160.32 Ni127.68 O1792 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.0948","0.0688","","","0.2007","0.2176","","","","","","1.023","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117375","50.5711","0.0011","50.5711","0.0011","50.5711","0.0011","90","","90","","90","","129332","5","296","2","296","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C260 H216 Cd16 In20 N4 O224 -","- C252 Cd15.96 In20.04 O231 -","- C2016 Cd127.68 In160.32 O1848 -","8","0.0416667","","Shou-Tian Zheng; Tao Wu; Fan Zuo; Chengtsung Chou; Pingyun Feng; Xianhui Bu","Mimicking Zeolite to Its Core: Porous Sodalite Cages as Hangers for Pendant Trimeric M3(OH) Clusters (M = Mg, Mn, Co, Ni, Cd)","Journal of the American Chemical Society","2012","134","","1934","1937","10.1021/ja209800x","","","0.71073","MoKα","","0.1319","0.0996","","","0.2661","0.2848","","","","","","1.215","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117376","10.42128","0.00027","14.8998","0.0004","17.5897","0.0005","90","","105.807","0.0013","90","","2627.96","0.12","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C5 F N2 O24 Si12 -","- C4.769 F N2 O24 Si12 -","- C19.076 F4 N8 O96 Si48 -","4","0.5","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117377","10.43748","0.00009","14.80768","0.00015","17.50255","0.00018","90","","106.09","0.0007","90","","2599.15","0.04","295","","","","","","","","","","synthetic","5","I 1 2/m 1","-I 2y","12","","","","- C6 F N2 O24 Si12 -","- C6 F N2 O24 Si12 -","- C24 F4 N8 O96 Si48 -","4","0.5","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","2.06","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117378","10.32658","0.0001","14.9994","0.00013","17.71021","0.00019","90","","105.396","0.0007","90","","2644.74","0.05","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O2 Si -","- O2 Si -","- O96 Si48 -","48","6","","Alex Rojas; Evangelina Martínez-Morales; Claudio M. Zicovich-Wilson; Miguel A. Camblor","Zeolite Synthesis in Fluoride Media: Structure Direction toward ITW by Small Methylimidazolium Cations","Journal of the American Chemical Society","2012","134","","2255","2263","10.1021/ja209832y","powder diffraction","","","","","","","","","","","","","1.83","","","","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117379","48.779","0.003","3.8228","0.0002","14.2036","0.0009","90","","90","","90","","2648.6","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","ClBBO","","","- C6 Cl N2 O S4 -","- C6 Cl N2 O S4 -","- C72 Cl12 N24 O12 S48 -","12","3","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Robertson, Craig M.; Noll, Bruce C.; Campana, Charles F.; Howard, Judith A. K.; Dube, Paul A.; Oakley, Richard T.","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","4","2264","2275","10.1021/ja209841z","","","1.54178","CuKα","","0.0886","0.0788","","","0.198","0.2043","","","","","","1.059","","","","has coordinates","219253","2020-10-21","18:00:00",""
"4117380","9.4913","0.0003","23.5986","0.0008","5.3124","0.0002","90","","90","","90","","1189.88","0.07","300","2","299.53","","","","","","","","","6","P n a 21","P 2c -2n","33","ClBBO.MeCN","","","- C8 H3 Cl N3 O S4 -","- C8 H3 Cl N3 O S4 -","- C32 H12 Cl4 N12 O4 S16 -","4","1","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Robertson, Craig M.; Noll, Bruce C.; Campana, Charles F.; Howard, Judith A. K.; Dube, Paul A.; Oakley, Richard T.","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","4","2264","2275","10.1021/ja209841z","","","1.54188","CUKα","","0.0227","0.0216","","","0.0561","0.0565","","","","","","1.069","","","","has coordinates","219253","2020-10-21","18:00:00",""
"4117381","14.3729","0.0007","14.3342","0.0007","16.5005","0.0008","90","","90","","90","","3399.5","0.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","ClBBO.SbF6.MeCN","","","- C8 H3 Cl F6 N3 O S4 Sb -","- C8 H3 Cl F6 N3 O S4 Sb -","- C64 H24 Cl8 F48 N24 O8 S32 Sb8 -","8","1","","Xin Yu; Aaron Mailman; Kristina Lekin; Abdeljalil Assoud; Craig M. Robertson; Bruce C. Noll; Charles F. Campana; Judith A. K. Howard; Paul A. Dube; Richard T. Oakley","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","","2264","2275","10.1021/ja209841z","","","0.71073","MoKα","","0.0593","0.0458","","","0.0803","0.0863","","","","","","1.263","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4117382","6.04443","0.00018","7.6997","0.0002","12.3317","0.0004","74.488","0.003","85.322","0.003","86.211","0.003","550.59","0.03","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 Cl N O6 -","- C7 H14 Cl N O6 -","- C14 H28 Cl2 N2 O12 -","2","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0334","0.0278","","","0.0709","0.0731","","","","","","1.1","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117383","11.4024","0.0003","12.4341","0.0003","8.0005","0.0003","90","","99.51","0.003","90","","1118.71","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O6 -","- C9 H14 N2 O6 -","- C36 H56 N8 O24 -","4","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0471","0.0337","","","0.0795","0.0849","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117384","7.5765","0.0003","7.6395","0.0004","11.1394","0.0003","81.909","0.003","81.289","0.003","63.606","0.004","568.92","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cl N3 O4 -","- C8 H14 Cl N3 O4 -","- C16 H28 Cl2 N6 O8 -","2","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0367","0.0295","","","0.0781","0.0814","","","","","","1.064","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117385","7.7437","0.0003","10.5514","0.0004","15.0891","0.0006","107.325","0.003","97.908","0.003","90.257","0.003","1164.41","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 N4 O5 -","- C9 H14 N4 O5 -","- C36 H56 N16 O20 -","4","2","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0559","0.0369","","","0.0832","0.0895","","","","","","1.035","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117386","5.8807","0.0002","26.272","0.0008","9.134","0.0003","90","","101.419","0.004","90","","1383.25","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0484","0.0376","","","0.0922","0.0966","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117387","11.1127","0.0004","9.1165","0.0002","10.0702","0.0003","90","","104.117","0.003","90","","989.39","0.05","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O4 -","- C8 H13 N3 O4 -","- C32 H52 N12 O16 -","4","1","","Daryl A. Guthrie; Nam Y. Kim; Maxime A. Siegler; Cathy D. Moore; John P. Toscano","Development of N-Substituted Hydroxylamines as Efficient Nitroxyl (HNO) Donors","Journal of the American Chemical Society","2012","134","","1962","1965","10.1021/ja2103923","","","0.71073","MoKα","","0.0518","0.0399","","","0.1056","0.1123","","","","","","1.058","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117388","9.311","0.003","11.161","0.004","14.008","0.005","90.704","0.004","97.034","0.004","111.539","0.004","1341.3","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H39 P2 Ta -","- C32 H39 P2 Ta -","- C64 H78 P4 Ta2 -","2","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0191","0.0175","","","0.0434","0.0441","","","","","","1.029","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117389","8.8509","0.0009","8.9422","0.0009","13.5025","0.0013","82.255","0.001","79.678","0.001","80.406","0.001","1030.6","0.18","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 Cl2 Ta -","- C22 H23 Cl2 Ta -","- C44 H46 Cl4 Ta2 -","2","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0253","0.0213","","","0.0475","0.0488","","","","","","1.056","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117390","26.135","0.0019","13.3142","0.001","17.0189","0.0013","90","","116.861","0.001","90","","5283.1","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H39 P2 Ta -","- C28 H39 P2 Ta -","- C224 H312 P16 Ta8 -","8","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0819","0.041","","","0.0728","0.0865","","","","","","1.001","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117391","7.8735","0.0009","8.7919","0.001","37.038","0.004","88.55","0.002","88.722","0.002","89.755","0.002","2562.4","0.5","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Br0.66 Cl0.34 Mg O2 -","- C28 H33 Br0.656 Cl0.344 Mg O2 -","- C112 H132 Br2.624 Cl1.376 Mg4 O8 -","4","2","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.1009","0.0555","","","0.1159","0.1309","","","","","","1.015","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117392","7.5927","0.0005","19.6428","0.0013","21.5544","0.0014","90","","90","","90","","3214.7","0.4","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 I -","- C20 H17 I -","- C160 H136 I8 -","8","2","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0287","0.0247","","","0.0557","0.0575","","","","","","1.037","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117393","7.0053","0.0008","18.055","0.002","16.2693","0.0018","90","","91.585","0.002","90","","2057","0.4","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl Ta -","- C23 H26 Cl Ta -","- C92 H104 Cl4 Ta4 -","4","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0535","0.0322","","","0.063","0.0698","","","","","","1.027","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117394","26.179","0.003","13.3008","0.0015","16.988","0.002","90","","117.349","0.002","90","","5254.1","1.1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 Cl P2 Ta -","- C27 H36 Cl P2 Ta -","- C216 H288 Cl8 P16 Ta8 -","8","1","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0603","0.032","","","0.062","0.0721","","","","","","1.019","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117395","12.4272","0.0017","12.8506","0.0018","16.636","0.002","90","","102.338","0.002","90","","2595.4","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 Cl2 P2 Ta -","- C26 H33 Cl2 P2 Ta -","- C104 H132 Cl8 P8 Ta4 -","4","0.5","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0377","0.0281","","","0.0557","0.0592","","","","","","1.038","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117396","9.896","0.003","13.06","0.005","11.577","0.004","90","","98.6","0.02","90","","1479.4","0.9","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C27 H31 Cl Cr N2 O5 Si -","- C27 H31 Cl Cr N2 O5 Si -","- C54 H62 Cl2 Cr2 N4 O10 Si2 -","2","0.5","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.56086","AgKα","","0.0372","0.0313","","","0.0877","0.0917","","","","","","1.062","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117397","9.791","0.002","13.307","0.002","18.432","0.002","90","","90","","90","","2401.5","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl Mo N2 O5 Si -","- C20 H23 Cl Mo N2 O5 Si -","- C80 H92 Cl4 Mo4 N8 O20 Si4 -","4","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0558","0.0472","","","0.1175","0.1208","","","","","","1.042","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117398","9.873","0.002","11.621","0.003","13.126","0.001","94.91","0.01","93.04","0.02","97.56","0.01","1484.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H31 Cl N2 O5 Si W -","- C27 H31 Cl N2 O5 Si W -","- C54 H62 Cl2 N4 O10 Si2 W2 -","2","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0211","0.0205","","","0.0509","0.0514","","","","","","1.087","","","","has coordinates,has disorder","178944","2020-10-21","18:00:00",""
"4117399","10.538","0.002","18.029","0.001","12.411","0.003","90","","109.13","0.002","90","","2227.7","0.7","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cr F N2 O5 Si -","- C20 H23 Cr F N2 O5 Si -","- C80 H92 Cr4 F4 N8 O20 Si4 -","4","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0287","0.0253","","","0.067","0.0684","","","","","","1.039","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117400","9.203","0.003","10.28","0.001","13.187","0.002","110.72","0.01","99.33","0.02","91.24","0.04","1147.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F N2 O5 Si W -","- C20 H23 F N2 O5 Si W -","- C40 H46 F2 N4 O10 Si2 W2 -","2","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0154","0.0139","","","0.0341","0.0352","","","","","","1.065","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117401","14.9727","0.0008","11.6351","0.0007","14.1303","0.0007","90","","111.331","0.002","90","","2293","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 N4 Pd -","- C24 H38 N4 Pd -","- C96 H152 N16 Pd4 -","4","0.5","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.0339","0.0261","","","0.0681","0.0736","","","","","","1.122","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117402","16.3907","0.0012","7.7425","0.0006","20.3997","0.0016","90","","96.584","0.004","90","","2571.8","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Cl N4 O4 Pd -","- C24 H38 Cl N4 O4 Pd -","- C96 H152 Cl4 N16 O16 Pd4 -","4","0.5","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.0353","0.0263","","","0.0594","0.0644","","","","","","1.067","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4117403","13.8045","0.0011","17.783","0.0016","23.373","0.002","93.749","0.005","93.389","0.005","110.812","0.004","5331","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H152 F6 N16 O9 Pd4 S2 -","- C98 H152 F6 N16 O9 Pd4 S2 -","- C196 H304 F12 N32 O18 Pd8 S4 -","2","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.1226","0.056","","","0.1116","0.1396","","","","","","1.032","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117404","10.177","0.003","10.326","0.003","13.38","0.004","74.828","0.016","71.245","0.013","83.583","0.014","1284.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 N4 O Pd -","- C26 H40 N4 O Pd -","- C52 H80 N8 O2 Pd2 -","2","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.1443","0.073","","","0.1594","0.1892","","","","","","0.944","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117405","12.6897","0.0012","15.4709","0.0014","14.5349","0.0013","90","","94.934","0.006","90","","2842.9","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H42 N4 Pd -","- C32 H42 N4 Pd -","- C128 H168 N16 Pd4 -","4","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate","Journal of the American Chemical Society","2012","134","","2414","2422","10.1021/ja210841f","","","0.71073","MoKα","","0.029","0.024","","","0.048","0.0497","","","","","","1.032","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117406","10.2728","0.0002","10.2728","0.0002","28.3123","0.0012","90","","90","","90","","2987.81","0.15","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- In La4 S9 Sb -","- In La4 S9 Sb -","- In8 La32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0222","0.0214","","","0.0351","0.0353","","","","","","1.207","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117407","10.1042","0.0016","10.1042","0.0016","27.907","0.006","90","","90","","90","","2849.2","0.9","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- In Pr4 S9 Sb -","- In Pr4 S9 Sb -","- In8 Pr32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0187","0.0178","","","0.0336","0.0349","","","","","","0.988","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117408","10.0721","0.0001","10.0721","0.0001","27.8292","0.001","90","","90","","90","","2823.19","0.11","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- In Nd4 S9 Sb -","- In Nd4 S9 Sb -","- In8 Nd32 S72 Sb8 -","8","1","","Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen","Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9","Journal of the American Chemical Society","2012","134","","1993","1995","10.1021/ja2109008","","","0.71073","MoKα","","0.0419","0.0371","","","0.0631","0.0651","","","","","","1.119","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117409","10.7584","0.0009","7.206","0.0006","16.0033","0.0014","90","","98.264","0.003","90","","1227.77","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl N -","- C12 H24 Cl N -","- C48 H96 Cl4 N4 -","4","1","","Sergey V. Pronin; M. Greg Tabor; Daniel J. Jansen; Ryan A. Shenvi","A Stereoselective Hydroamination Transform To Access Polysubstituted Indolizidines","Journal of the American Chemical Society","2012","134","","2012","2015","10.1021/ja211090n","","","0.71073","MoKα","","0.1189","0.0559","","","0.1043","0.1247","","","","","","1.005","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117410","7.9857","0.0008","18.137","0.0019","15.7831","0.0015","90","","90.74","0.004","90","","2285.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 N4 O7 -","- C21 H32 N4 O7 -","- C84 H128 N16 O28 -","4","1","","Sergey V. Pronin; M. Greg Tabor; Daniel J. Jansen; Ryan A. Shenvi","A Stereoselective Hydroamination Transform To Access Polysubstituted Indolizidines","Journal of the American Chemical Society","2012","134","","2012","2015","10.1021/ja211090n","","","0.71073","MoKα","","0.0789","0.0531","","","0.1421","0.1597","","","","","","1.034","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117411","7.3579","0.0019","16.661","0.004","39.735","0.011","90","","90","","90","","4871","2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ubsc04","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C240 H216 N8 O16 S8 -","8","2","","Timothy W. Liwosz; Sherry R. Chemler","Copper-Catalyzed Enantioselective Intramolecular Alkene Amination/Intermolecular Heck-Type Coupling Cascade","Journal of the American Chemical Society","2012","134","","2020","2023","10.1021/ja211272v","","","0.71073","MoKα","","0.0777","0.0581","","","0.1198","0.128","","","","","","1.047","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117412","38.7295","0.0019","5.4682","0.0003","20.4124","0.001","90","","115.138","0.001","90","","3913.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N5 O2 S3 -","- C20 H17 N5 O2 S3 -","- C160 H136 N40 O16 S24 -","8","1","","Dinesh G. Patel; Fude Feng; Yu-ya Ohnishi; Khalil A. Abboud; So Hirata; Kirk S. Schanze; John R. Reynolds","It Takes More Than an Imine: The Role of the Central Atom on the Electron-Accepting Ability of Benzotriazole and Benzothiadiazole Oligomers","Journal of the American Chemical Society","2012","134","","2599","2612","10.1021/ja207978v","","","0.71073","MoKα","","0.0411","0.0295","","","0.0748","0.079","","","","","","1.02","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117413","5.754547","0.000012","5.754547","0.000012","28.503915","0.000079","90","","90","","120","","817.443","0.003","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ag1.5 F3 Mo Na1.5 O3 -","- Ag1.5 F3 Mo Na1.5 O3 -","- Ag9 F18 Mo6 Na9 O18 -","6","0.333333","","Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward","Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure","Journal of the American Chemical Society","2012","134","","2621","2625","10.1021/ja208587e","","","","","","","","","","","","","","","","","","","","","has coordinates","288013","2023-12-04","16:58:37",""
"4117414","5.741466","0.000018","5.741466","0.000018","28.63794","0.00011","90","","90","","120","","817.557","0.005","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ag1.5 F3 Na1.5 O3 W -","- Ag1.5 F3 Na1.5 O3 W -","- Ag9 F18 Na9 O18 W6 -","6","0.333333","","Allyson M. Fry; Harry A. Seibel; Indunil N. Lokuhewa; Patrick M. Woodward","Na1.5Ag1.5MO3F3(M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3Structure","Journal of the American Chemical Society","2012","134","","2621","2625","10.1021/ja208587e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117415","10.9711","0.0002","35.2476","0.0007","19.049","0.0004","90","","90.5069","0.0007","90","","7366.1","0.3","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H43 Cl3 N6 -","- C43 H43 Cl3 N6 -","- C344 H344 Cl24 N48 -","8","4","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0327","","","","0.0943","","","","","","0.874","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117416","19.591","0.0008","51.73","0.003","14.2715","0.0005","90","","90.9052","0.001","90","","14461.5","1.1","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.88 H99.82 Cl12 N15.94 O2 Pd6 -","- C91.88 H84 Cl12 N15.94 O2 Pd6 -","- C367.52 H336 Cl48 N63.76 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0991","","","","0.3164","","","","","","0.93","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117417","19.6178","0.0008","52.238","0.003","14.3202","0.0005","90","","91.2573","0.001","90","","14671.7","1.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96.54 H102.39 Cl12 N13.84 O2 Pd6 -","- C96.548 H84 Cl12 N13.843 O2 Pd6 -","- C386.192 H336 Cl48 N55.372 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0965","","","","0.3121","","","","","","0.989","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117418","19.5464","0.0011","51.984","0.003","14.2556","0.0007","90","","91.3359","0.001","90","","14481.2","1.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92.29 H95.19 Br2.1 Cl12 N13 O2 Pd6 -","- C92.288 H84 Br2.096 Cl12 N13 O2 Pd6 -","- C369.152 H336 Br8.384 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0976","","","","0.3072","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117419","19.6321","0.0011","52.27","0.003","14.3163","0.0007","90","","90.7813","0.001","90","","14689.6","1.4","99","","99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94.47 H96.64 Br2.82 Cl12 N13 O2 Pd6 -","- C94.466 H84 Br2.822 Cl12 N13 O2 Pd6 -","- C377.864 H336 Br11.288 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0875","","","","0.2783","","","","","","0.961","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117420","19.5941","0.0012","52.174","0.004","14.3018","0.0009","90","","91.0613","0.001","90","","14618.3","1.7","99","","99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90.1 H93.73 Br1.37 Cl12 N13 O2 Pd6 -","- C90.098 H84 Br1.366 Cl12 N13 O2 Pd6 -","- C360.392 H336 Br5.464 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.086","","","","0.2788","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117421","19.6214","0.0009","52.237","0.003","14.3071","0.0007","90","","90.8429","0.001","90","","14662.7","1.3","98","","98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97.35 H98.56 Br3.78 Cl12 N13 O2 Pd6 -","- C97.346 H84 Br3.782 Cl12 N13 O2 Pd6 -","- C389.384 H336 Br15.128 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.087","","","","0.2697","","","","","","1.008","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117422","19.26","0.05","51.47","0.1","14.07","0.03","90","","91.03","0.05","90","","13946","5","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96.49 H97.99 Br3.5 Cl12 N13 O2 Pd6 -","- C96.488 H84 Br3.496 Cl12 N13 O2 Pd6 -","- C385.952 H336 Br13.984 Cl48 N52 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0976","","","","0.3078","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117423","19.5756","0.0007","51.9794","0.0019","14.3211","0.0005","90","","91.7141","0.001","90","","14565.6","0.9","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103.66 H107.75 Cl12 N14.87 O2 Pd6 -","- C103.64 H84 Cl12 N14.87 O2 Pd6 -","- C414.56 H336 Cl48 N59.48 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0869","","","","0.2792","","","","","","1.047","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117424","19.5853","0.0014","51.947","0.004","14.3087","0.0009","90","","91.3919","0.001","90","","14553.3","1.8","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C103.87 H106.69 Cl12 N14 O2 Pd6 -","- C103.87 H84 Cl12 N14 O2 Pd6 -","- C415.48 H336 Cl48 N56 O8 Pd24 -","4","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0939","","","","0.3018","","","","","","0.878","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117425","14.3444","0.0006","52.812","0.003","19.7014","0.0009","90","","90.7824","0.001","90","","14923.5","1.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C195.13 H207.17 Cl26.51 N27.53 O5.51 Pd12 -","- C194.132 H168 Cl26.509 N27.53 O4.509 Pd12 -","- C388.264 H336 Cl53.018 N55.06 O9.018 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0823","","","","0.2359","","","","","","0.931","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117426","14.3191","0.0003","52.7125","0.001","19.6819","0.0004","90","","90.908","0.001","90","","14853.9","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C184.79 H197.62 Cl25.19 N27.64 O5.19 Pd12 -","- C184.804 H168 Cl25.188 N27.65 O5.188 Pd12 -","- C369.608 H336 Cl50.376 N55.3 O10.376 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","0.0986","0.0755","","","0.223","0.2444","","","","","","1.042","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117427","14.3425","0.0003","52.8215","0.0011","19.705","0.0004","90","","90.8605","0.0007","90","","14926.7","0.5","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C197.88 H211.03 Cl26.6 N28.55 O5.6 Pd12 -","- C196.928 H168 Cl26.596 N28.55 O4.656 Pd12 -","- C393.856 H336 Cl53.192 N57.1 O9.312 Pd24 -","2","1","","Shohei Tashiro; Ryou Kubota; Mitsuhiko Shionoya","Metal-Macrocycle Framework (MMF): Supramolecular Nano-Channel Surfaces with Shape Sorting Capability","Journal of the American Chemical Society","2012","134","","2461","2464","10.1021/ja209422m","","","0.71075","MoKα","","","0.0843","","","","0.2599","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117428","25.21","0.02","13.12","0.001","11.85","0.01","90","","95.22","0.02","90","","3903","5","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Fe I2 N6 O0.5 -","- C38 H32 Fe I2 N6 O0.5 -","- C152 H128 Fe4 I8 N24 O2 -","4","0.5","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","","0.71073","MoKα","","0.0702","0.0702","","0.0771","","0.0771","","","1.904","","","1.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117429","10.448","0.002","13.901","0.003","15.153","0.003","101.2","0.03","92.25","0.03","95.77","0.03","2144","0.8","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Fe0.5 I2 N2.5 O0.75 -","- C19 H22 Fe0.5 I2 N2.5 O0.75 -","- C76 H88 Fe2 I8 N10 O3 -","4","2","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","x-ray","0.71073","MoKα","","0.1102","0.0893","","","0.2206","0.2304","","","","","","1.16","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117430","11.687","0.004","7.864","0.003","31.44","0.01","90","","97.86","0.01","90","","2862.4","1.7","200","","200","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H24 F12 Fe N2 P2 -","- C27 H24 F12 Fe N2 P2 -","- C108 H96 F48 Fe4 N8 P8 -","4","1","","Adriana Iordache; Mircea Oltean; Anne Milet; Fabrice Thomas; Benoît Baptiste; Eric Saint-Aman; Christophe Bucher","Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings","Journal of the American Chemical Society","2012","134","","2653","2671","10.1021/ja209766e","","","0.71073","MoKα","","0.0513","0.0513","","0.0613","","0.0613","","","1.944","","","1.944","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117431","11.1943","0.0008","11.267","0.0008","13.5411","0.001","72.63","0.001","85.297","0.001","66.5","0.001","1493.47","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O Se -","- C16 H18 N2 O Se -","- C64 H72 N8 O4 Se4 -","4","2","","Javeed Akhtar; Masood Akhtar; Mohammad Azad Malik; Paul O'Brien; James Raftery","A Single-Source Precursor Route to Unusual PbSe Nanostructures by a Solution-Liquid-Solid Method","Journal of the American Chemical Society","2012","134","","2485","2487","10.1021/ja209831n","","","0.71073","MoKα","","0.0477","0.0406","","","0.0854","0.0895","","","","","","1.126","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117432","14.646","0.0008","11.1689","0.0006","10.6985","0.0006","90","","103.614","0.002","90","","1700.89","0.16","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N4 O2 S -","- C16 H15 Br N4 O2 S -","- C64 H60 Br4 N16 O8 S4 -","4","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0376","0.0328","","","0.0924","0.0958","","","","","","1.003","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117433","9.7488","0.0008","8.9169","0.0008","19.246","0.0017","90","","104.633","0.001","90","","1618.8","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N2 O2 S -","- C16 H15 Br N2 O2 S -","- C64 H60 Br4 N8 O8 S4 -","4","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0266","0.0221","","","0.0571","0.0593","","","","","","1.044","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117434","8.974","0.0007","8.3505","0.0007","12.4633","0.001","90","","108.856","0.001","90","","883.84","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C38 H44 N4 O4 S2 -","2","1","","Nicklas Selander; Valery V. Fokin","Rhodium(II)-Catalyzed Asymmetric Sulfur(VI) Reduction of Diazo Sulfonylamidines","Journal of the American Chemical Society","2012","134","","2477","2480","10.1021/ja210180q","","","0.71073","MoKα","","0.0277","0.0272","","","0.0732","0.0738","","","","","","1.031","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117435","10.1287","0.0009","11.8446","0.0012","14.014","0.0014","90","","90","","90","","1681.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","JFB-02-104","toste33","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Jean-François Brazeau; Suyan Zhang; Ignacio Colomer; Britton K. Corkey; F. Dean Toste","Enantioselective Cyclizations of Silyloxyenynes Catalyzed by Cationic Metal Phosphine Complexes","Journal of the American Chemical Society","2012","134","","2742","2749","10.1021/ja210388g","","","1.54178","CuKα","","0.0263","0.0261","","","0.0697","0.0699","","","","","","1.058","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117436","9.3322","0.0008","7.1038","0.0006","12.7222","0.0011","90","","107.09","0.003","90","","806.17","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","JFB-03-045","toste40","","- C17 H17 N O7 -","- C17 H17 N O7 -","- C34 H34 N2 O14 -","2","1","","Jean-François Brazeau; Suyan Zhang; Ignacio Colomer; Britton K. Corkey; F. Dean Toste","Enantioselective Cyclizations of Silyloxyenynes Catalyzed by Cationic Metal Phosphine Complexes","Journal of the American Chemical Society","2012","134","","2742","2749","10.1021/ja210388g","","","1.54178","CuKα","","0.0304","0.0302","","","0.083","0.0832","","","","","","1.057","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117437","6.1292","0.0003","10.4615","0.0004","21.2155","0.0009","90","","90","","90","","1360.35","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Forest J. Robertson; Jimmy Wu","Phosphorothioic Acids and Related Compounds as Surrogates for H2S-Synthesis of Chiral Tetrahydrothiophenes","Journal of the American Chemical Society","2012","134","","2775","2780","10.1021/ja210758n","","x-ray","1.54178","CuKα","","0.0771","0.0518","","","0.1119","0.1214","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117438","14.8369","0.0012","14.6098","0.0012","27.373","0.002","90","","103.276","0.001","90","","5774.9","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Mo(NAr)(CHCMe2Ph)(2,5-Me2Pyr)(monoBitet)","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C236 H328 Br8 Mo4 N8 O8 Si4 -","4","2","","Miao Yu; Ismail Ibrahem; Masayuki Hasegawa; Richard R. Schrock; Amir H. Hoveyda","Enol Ethers as Substrates for EfficientZ- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes: Utility in Chemical Synthesis and Mechanistic Attributes","Journal of the American Chemical Society","2012","134","","2788","2799","10.1021/ja210946z","","","0.71073","MoKα","","0.0418","0.0319","","","0.0723","0.0766","","","","","","1.023","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117439","11.1036","0.0009","12.5845","0.0011","20.5049","0.0017","90","","100.568","0.001","90","","2816.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H82 Br2 Mo N2 O2 Si -","- C59 H82 Br2 Mo N2 O2 Si -","- C118 H164 Br4 Mo2 N4 O4 Si2 -","2","1","","Miao Yu; Ismail Ibrahem; Masayuki Hasegawa; Richard R. Schrock; Amir H. Hoveyda","Enol Ethers as Substrates for EfficientZ- and Enantioselective Ring-Opening/Cross-Metathesis Reactions Promoted by Stereogenic-at-Mo Complexes: Utility in Chemical Synthesis and Mechanistic Attributes","Journal of the American Chemical Society","2012","134","","2788","2799","10.1021/ja210946z","","","0.71073","MoKα","","0.0257","0.0237","","","0.0531","0.0535","","","","","","0.941","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117440","8.07317","0.00017","8.55027","0.00017","16.8646","0.0003","90","","98.677","0.0019","90","","1150.8","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H26 Br Cl N2 O2 -","- C25 H26 Br Cl N2 O2 -","- C50 H52 Br2 Cl2 N4 O4 -","2","1","","Łukasz Albrecht; Gustav Dickmeiss; Fabio Cruz Acosta; Carles Rodríguez-Escrich; Rebecca L. Davis; Karl Anker Jørgensen","Asymmetric Organocatalytic Formal [2 + 2]-Cycloadditions via Bifunctional H-Bond Directing Dienamine Catalysis","Journal of the American Chemical Society","2012","134","","2543","2546","10.1021/ja211878x","","","0.7107","MoKα","","0.0349","0.0304","","","0.0629","0.0654","","","","","","1.043","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117441","9.9088","0.0002","12.3092","0.0003","17.7168","0.0004","90","","93.0773","0.001","90","","2157.79","0.08","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Al Cl Fe N2 O2 -","- C20 H24 Al Cl Fe N2 O2 -","- C80 H96 Al4 Cl4 Fe4 N8 O8 -","4","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0675","0.0458","","0.1365","0.1224","0.1365","","","","","","0.9274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117442","9.9819","0.0002","10.0605","0.0002","12.3107","0.0003","83.6209","0.0008","69.1742","0.0008","76.6715","0.001","1123.8","0.04","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 Al Cl Mn N2 O2 -","- C21 H27 Al Cl Mn N2 O2 -","- C42 H54 Al2 Cl2 Mn2 N4 O4 -","2","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0517","0.034","","0.0711","0.0571","0.0711","","","","","","0.9218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117443","10.1264","0.0001","20.4974","0.0003","16.7518","0.0002","90","","103.604","0.0006","90","","3379.53","0.07","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H50 Al Mn N2 O2 -","- C37 H50 Al Mn N2 O2 -","- C148 H200 Al4 Mn4 N8 O8 -","4","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0722","0.039","","0.0821","0.0607","0.0821","","","","","","0.9834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117444","10.64322","0.0001","19.59951","0.00019","18.60077","0.00018","90","","98.4228","0.0009","90","","3838.31","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Al N3 O5 W -","- C36 H50 Al N3 O5 W -","- C144 H200 Al4 N12 O20 W4 -","4","1","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","1.5418","CuKα","","0.0286","0.0272","","0.042","0.0418","0.042","","","","","","1.4791","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117445","17.5944","0.0002","21.1678","0.0003","9.0757","0.0001","90","","90","","90","","3380.11","0.07","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C33.11 H43 Al Cr N2 O4.11 -","- C33.1141 H43 Al Cr N2 O4.1141 -","- C132.456 H172 Al4 Cr4 N8 O16.4564 -","4","0.5","","Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge","σ-Alane Complexes of Chromium, Tungsten, and Manganese","Journal of the American Chemical Society","2012","134","","2551","2554","10.1021/ja2119892","","","0.71073","MoKα","","0.0569","0.0456","","0.1103","0.1025","0.1103","","","","","","0.9421","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117446","13.057","0.003","12.612","0.003","15.7","0.003","90","","90","","90","","2585.4","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H15 B2 Cl F8 N2 -","- C7 H15 B2 Cl F8 N2 -","- C56 H120 B16 Cl8 F64 N16 -","8","1","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","0.71073","MoKα","","0.105","0.0979","","","0.2369","0.2406","","","","","","1.216","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117447","8.3933","0.0004","9.6118","0.0004","18.5236","0.0008","85.815","0.002","85.653","0.002","89.719","0.002","1486.11","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 N2 O3 -","- C13 H24 N2 O3 -","- C52 H96 N8 O12 -","4","2","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","0.71073","MoKα","","0.0874","0.0492","","","0.1099","0.1245","","","","","","1.025","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117448","9.7378","0.0008","12.9988","0.0011","10.2003","0.0009","90","","108.491","0.006","90","","1224.49","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","2","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","1.54178","CuKα","","0.0709","0.0625","","","0.1678","0.1794","","","","","","1.017","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117449","8.795","0.002","8.795","","27.918","0.009","90","","90","","90","","2159.5","0.9","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","0.25","","Matthew G. Cowan; Juan Olguín; Suresh Narayanaswamy; Jeffery L. Tallon; Sally Brooker","Reversible Switching of a Cobalt Complex by Thermal, Pressure, and Electrochemical Stimuli: Abrupt, Complete, Hysteretic Spin Crossover","Journal of the American Chemical Society","2012","134","","2892","2894","10.1021/ja208429u","","","0.71073","MoKα","","0.0657","0.0469","","","0.1214","0.1338","","","","","","1.02","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117450","8.668","0.005","27.656","0.014","8.514","0.005","90","","91.52","0.03","90","","2040","2","89","2","89","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Co N10 O4 -","- C20 H12 Co N10 O4 -","- C80 H48 Co4 N40 O16 -","4","1","","Matthew G. Cowan; Juan Olguín; Suresh Narayanaswamy; Jeffery L. Tallon; Sally Brooker","Reversible Switching of a Cobalt Complex by Thermal, Pressure, and Electrochemical Stimuli: Abrupt, Complete, Hysteretic Spin Crossover","Journal of the American Chemical Society","2012","134","","2892","2894","10.1021/ja208429u","","","0.71073","MoKα","","0.1742","0.1244","","","0.329","0.3561","","","","","","1.104","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117451","5.7034","0.0008","26.89","0.004","18.2435","0.0019","90","","100.429","0.004","90","","2751.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ag2069","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C112 H136 N8 O40 -","8","2","","P. Andrew Evans; Aleksandr Grisin; Michael J. Lawler","Diastereoselective Construction of syn-1,3-Dioxanes via a Bismuth-Mediated Two-Component Hemiacetal/Oxa-Conjugate Addition Reaction","Journal of the American Chemical Society","2012","134","","2856","2859","10.1021/ja208668u","","","0.71073","MoKα","","0.0843","0.0476","","","0.0966","0.1052","","","","","","1.055","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117452","5.32356","0.00014","5.32356","","5.32356","","90","","90","","90","","150.871","0.004","298","","298","","","","","","","","Syn","2","F m -3 m","-F 4 2 3","225","Neptunium dinitride","Neptunium dinitride","","- N2 Np -","- N2 Np -","- N8 Np4 -","4","0.0208333","","G. W. Chinthaka Silva; Philippe F. Weck; Eunja Kim; Charles B. Yeamans; Gary S. Cerefice; Alfred P. Sattelberger; Kenneth R. Czerwinski","Crystal and Electronic Structures of Neptunium Nitrides Synthesized Using a Fluoride Route","Journal of the American Chemical Society","2012","134","","3111","3119","10.1021/ja209503n","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.0864","","0.73","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117453","10.6513","0.0004","10.6513","","10.6513","","90","","90","","90","","1208.39","0.05","298","","298","","","","","","","","Syn","2","I a -3","-I 2b 2c 3","206","Neptunium nitride","Neptunium nitride","","- N3 Np2 -","- N3 Np2 -","- N48 Np32 -","16","0.333333","","G. W. Chinthaka Silva; Philippe F. Weck; Eunja Kim; Charles B. Yeamans; Gary S. Cerefice; Alfred P. Sattelberger; Kenneth R. Czerwinski","Crystal and Electronic Structures of Neptunium Nitrides Synthesized Using a Fluoride Route","Journal of the American Chemical Society","2012","134","","3111","3119","10.1021/ja209503n","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04038","","0.93","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117454","11.1437","0.0004","14.7636","0.0005","16.2934","0.0005","88.263","0.001","75.834","0.001","74.699","0.001","2505.28","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc2C2@C80Ad-A","","","- C97.8 H17.3 Cl1.65 S1.7 Sc2 -","- C97.8 H17.3 Cl1.65 S1.7 Sc1.999 -","- C195.6 H34.6 Cl3.3 S3.4 Sc3.998 -","2","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","0.71073","MoKα","","0.1259","0.099","","","0.2675","0.2948","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117455","11.13","0.002","14.73","0.004","16.508","0.004","88.207","0.012","74.636","0.011","74.459","0.011","2512","1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc2C2@C80Ad-B","","","- C98.5 H18 Cl2 S Sc2 -","- C98.5 H18 Cl2 S Sc2.001 -","- C197 H36 Cl4 S2 Sc4.002 -","2","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","1","synchrotron","","0.1558","0.1185","","","0.354","0.3791","","","","","","1.436","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117456","11.1166","0.0001","21.7692","0.0003","21.0084","0.0003","90","","99.822","0.001","90","","5009.5","0.11","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sc2C2@C80Ad-C","","","- C98.5 H18 Cl2 S Sc2 -","- C98.5 H18 Cl2 S Sc2 -","- C394 H72 Cl8 S4 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","0.71073","MoKα","","0.0794","0.0655","","","0.1752","0.1903","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117457","10.9836","0.0002","21.6821","0.0004","21.2588","0.0004","90","","100.223","0.001","90","","4982.36","0.16","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sc2C2@C80Ad-G","","","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C97.3 H16.8 Cl1.4 S2.2 Sc2 -","- C389.2 H67.2 Cl5.6 S8.8 Sc8 -","4","1","","Hiroki Kurihara; Xing Lu; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka","Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations","Journal of the American Chemical Society","2012","134","","3139","3144","10.1021/ja210101f","","","0.71073","MoKα","","0.0731","0.0552","","","0.1335","0.1457","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117458","10.6993","0.0005","15.4039","0.0006","12.9476","0.0006","90","","109.992","0.002","90","","2005.32","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co(DO)(DOH)pn(OH2)2](ClO4)2","","","- C11 H23 Cl2 Co N4 O12 -","- C11 H23 Cl2 Co N4 O12 -","- C44 H92 Cl8 Co4 N16 O48 -","4","1","","Charles C. L. McCrory; Christopher Uyeda; Jonas C. Peters","Electrocatalytic Hydrogen Evolution in Acidic Water with Molecular Cobalt Tetraazamacrocycles","Journal of the American Chemical Society","2012","134","","3164","3170","10.1021/ja210661k","","","0.71073","MoKα","","0.0433","0.0288","","","0.0737","0.0809","","","","","","1.027","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117459","16.0293","0.0001","16.672","0.0004","23.1824","0.0002","90","","107.661","0.0004","90","","5903.28","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F6 N2 O2 S2 -","- C26 H22 F6 N2 O2 S2 -","- C208 H176 F48 N16 O16 S16 -","8","2","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","0.71073","MoKα","","0.0637","0.0487","","","0.1409","0.1494","","","","","","1.068","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117460","13.8935","0.0004","13.9569","0.0004","18.8869","0.0005","106.288","0.002","99.363","0.002","92.169","0.002","3455.04","0.17","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H50 B F24 O P2 Rh -","- C76 H50 B F24 O P2 Rh -","- C152 H100 B2 F48 O2 P4 Rh2 -","2","1","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","1.54184","CuKα","","0.0746","0.0642","","0.1827","0.1697","0.1827","","","","","","0.9882","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117461","11.6512","0.0003","18.6314","0.0006","19.4202","0.0008","117.813","0.004","91.16","0.003","102.919","0.003","3596.2","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H50 B F24 O2 P2 Rh S -","- C77 H50 B F24 O2 P2 Rh S -","- C154 H100 B2 F48 O4 P4 Rh2 S2 -","2","1","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","0.6889","Synchrotron","","0.0966","0.0804","","0.2405","0.216","0.2405","","","","","","0.9382","","","","has coordinates,has disorder","288252","2023-12-12","14:26:24",""
"4117462","12.068","0.0011","22.5648","0.0018","7.3024","0.0007","90","","93.583","0.009","90","","1984.6","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F3 O4 S2 -","- C19 H19 F3 O4 S2 -","- C76 H76 F12 O16 S8 -","4","1","","Joel F. Hooper; Adrian B. Chaplin; Carlos González-Rodríguez; Amber L. Thompson; Andrew S. Weller; Michael C. Willis","Aryl Methyl Sulfides as Substrates for Rhodium-Catalyzed Alkyne Carbothiolation: Arene Functionalization with Activating Group Recycling","Journal of the American Chemical Society","2012","134","","2906","2909","10.1021/ja2108992","","","1.5418","CuKα","","0.1094","0.0723","","0.2064","0.1743","0.2064","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117463","24.60237","0.00014","24.60237","","24.60237","","90","","90","","90","","14891.2","0.08","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi0.04 Na0.14 O2 Si -","- Bi0.0437667 Na0.135583 O2 Si -","- Bi8.4032 Na26.032 O384 Si192 -","192","1","","Hong-Tao Sun; Yoshitaka Matsushita; Yoshio Sakka; Naoto Shirahata; Masahiko Tanaka; Yoshio Katsuya; Hong Gao; Keisuke Kobayashi","Synchrotron X-ray, Photoluminescence, and Quantum Chemistry Studies of Bismuth-Embedded Dehydrated Zeolite Y","Journal of the American Chemical Society","2012","134","","2918","2921","10.1021/ja211426b","powder diffraction","x-ray","0.653","","","","","","","","","0.16459","","0.84","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117464","18.3988","0.0014","18.6925","0.0014","19.076","0.002","94.796","0.002","116.638","0.002","116.175","0.001","4928.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H197 Ag38 Cl18 O50 -","- C128 H197 Ag38 Cl18 O50 -","- C128 H197 Ag38 Cl18 O50 -","1","0.5","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0491","0.0338","","","0.07","0.0799","","","","","","1.108","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117465","32.884","0.003","20.3223","0.0018","33.95","0.003","90","","91.106","0.002","90","","22684","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C172 H246 Ag38 Cl18 O51 -","- C172 H246 Ag38 Cl18 O51 -","- C688 H984 Ag152 Cl72 O204 -","4","0.5","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.051","0.0393","","","0.1016","0.1121","","","","","","1.123","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117466","25.8259","0.0015","25.8259","0.0015","12.3664","0.0007","90","","90","","120","","7143.1","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H132 Ag14 Cl2 -","- C96 H132 Ag14 Cl2 -","- C288 H396 Ag42 Cl6 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0285","0.0255","","","0.0654","0.0675","","","","","","1.05","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117467","24.4626","0.0014","24.4626","0.0014","14.0339","0.0007","90","","90","","120","","7273","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C96 H126 Ag14 Cl2 -","- C96 H126 Ag14 Cl2 -","- C288 H378 Ag42 Cl6 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0577","0.0435","","","0.1068","0.1185","","","","","","1.04","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117468","24.5343","0.0015","24.5343","0.0015","13.9815","0.0009","90","","90","","120","","7288.4","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H132 Ag14 Br N O3 -","- C96 H132 Ag14 Br N O3 -","- C288 H396 Ag42 Br3 N3 O9 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.034","0.0324","","","0.0819","0.0839","","","","","","1.105","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117469","21.4318","0.0009","21.4318","0.0009","13.767","0.0006","90","","90","","120","","5476.3","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H84 Ag14 Cl N O3 -","- C60 H84 Ag14 Cl N O3 -","- C180 H252 Ag42 Cl3 N3 O9 -","3","0.166667","","Sam C. K. Hau; Ping-Shing Cheng; Thomas C. W. Mak","Enlargement of Globular Silver Alkynide Cluster via Core Transformation","Journal of the American Chemical Society","2012","134","","2922","2925","10.1021/ja211438q","","","0.71073","MoKα","","0.0269","0.0259","","","0.0654","0.0662","","","","","","1.089","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117470","9.7263","0.0015","14.74","0.002","14.927","0.002","79.451","0.003","81.489","0.003","81.424","0.003","2064.2","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 B10 -","- C17 H25.5 B10 -","- C68 H102 B40 -","4","2","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1151","0.0706","","","0.1909","0.2312","","","","","","1.059","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117471","9.7765","0.0017","10.1792","0.0017","13.111","0.002","82.254","0.003","81.311","0.003","62.982","0.003","1145.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H38 B10 -","- C18 H38 B10 -","- C36 H76 B20 -","2","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1338","0.0653","","","0.1559","0.1968","","","","","","1.004","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117472","11.337","0.0019","10.6235","0.0018","19.108","0.003","90","","106.542","0.003","90","","2206.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B10 O -","- C18 H30 B10 O -","- C72 H120 B40 O4 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0816","0.0524","","","0.1329","0.1603","","","","","","1.026","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117473","9.533","0.002","18.412","0.004","13.318","0.003","90","","102.604","0.004","90","","2281.3","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 B10 -","- C19 H30 B10 -","- C76 H120 B40 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1104","0.0552","","","0.1385","0.1712","","","","","","1.001","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117474","10.693","0.003","10.693","0.003","37.114","0.011","90","","90","","120","","3675.1","1.8","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C17 H38 B10 Si -","- C17 H38 B10 Si -","- C102 H228 B60 Si6 -","6","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0867","0.055","","","0.1356","0.158","","","","","","1.066","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117475","13.579","0.002","13.033","0.002","14.93","0.002","90","","113.184","0.003","90","","2428.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 B10 Si -","- C19 H34 B10 Si -","- C76 H136 B40 Si4 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.0985","0.0544","","","0.1403","0.1745","","","","","","1.062","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117476","11.8291","0.0018","16.137","0.002","14.117","0.002","90","","108.298","0.003","90","","2558.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 B10 -","- C23 H32 B10 -","- C92 H128 B40 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1241","0.062","","","0.1586","0.2087","","","","","","1.016","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117477","11.068","0.016","21.3","0.03","20.99","0.03","90","","90.45","0.03","90","","4948","12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 B10 Ni P2 -","- C49 H52 B10 Ni P2 -","- C196 H208 B40 Ni4 P8 -","4","1","","Shikuo Ren; Zaozao Qiu; Zuowei Xie","Transition-Metal-Promoted or -Catalyzed Exocyclic Alkyne Insertion via Zirconacyclopentene with Carborane Auxiliary: Formation of Symmetric or Unsymmetric Benzocarboranes","Journal of the American Chemical Society","2012","134","","3242","3254","10.1021/ja211485t","","","0.71073","MoKα","","0.1029","0.0578","","","0.1484","0.1796","","","","","","1.008","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117478","11.069","0.002","11.566","0.002","12.627","0.003","86.47","0.03","85.08","0.03","72.08","0.03","1531.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N3 O2 S -","- C34 H39 N3 O2 S -","- C68 H78 N6 O4 S2 -","2","1","","Yang Wang; Yue Chi; Wen-Xiong Zhang; Zhenfeng Xi","Regioselective Ring Expansion of 2,4-Diiminoazetidines via Cleavage of C-N and C(sp3)-H Bonds: Efficient Construction of 2,3-Dihydropyrimidinesulfonamides","Journal of the American Chemical Society","2012","134","","2926","2929","10.1021/ja211486f","","","0.71073","MoKα","","0.1199","0.0454","","","0.084","0.1069","","","","","","0.998","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117479","11.426","0.002","19.715","0.004","12.377","0.003","90","","112.44","0.03","90","","2577","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl N3 O2 S -","- C28 H34 Cl N3 O2 S -","- C112 H136 Cl4 N12 O8 S4 -","4","1","","Yang Wang; Yue Chi; Wen-Xiong Zhang; Zhenfeng Xi","Regioselective Ring Expansion of 2,4-Diiminoazetidines via Cleavage of C-N and C(sp3)-H Bonds: Efficient Construction of 2,3-Dihydropyrimidinesulfonamides","Journal of the American Chemical Society","2012","134","","2926","2929","10.1021/ja211486f","","","0.71073","MoKα","","0.0979","0.0448","","","0.0839","0.1178","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117480","6.3036","0.0012","28.939","0.006","14.11","0.003","90","","92.971","0.003","90","","2570.5","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 N3 O2 S -","- C29 H37 N3 O2 S -","- C116 H148 N12 O8 S4 -","4","1","","Yang Wang; Yue Chi; Wen-Xiong Zhang; Zhenfeng Xi","Regioselective Ring Expansion of 2,4-Diiminoazetidines via Cleavage of C-N and C(sp3)-H Bonds: Efficient Construction of 2,3-Dihydropyrimidinesulfonamides","Journal of the American Chemical Society","2012","134","","2926","2929","10.1021/ja211486f","","","0.71073","MoKα","","0.0749","0.0653","","","0.1348","0.1415","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117481","5.94197","0.00004","10.24152","0.00006","14.97189","0.00011","90","","92.3182","0.0006","90","","910.366","0.011","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Bi Ir2 O9 -","- Ba3 Bi Ir2 O9 -","- Ba12 Bi4 Ir8 O36 -","4","0.5","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.12226","","2.15","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117482","3.02032","0.00011","3.02032","","3.02032","","90","","90","","90","","27.5524","0.001","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.12226","","2.15","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117483","5.94251","0.00006","10.24416","0.00008","14.972","0.0002","90","","92.2969","0.0007","90","","910.704","0.017","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Bi Ir2 O9 -","- Ba3 Bi Ir2 O9 -","- Ba12 Bi4 Ir8 O36 -","4","0.5","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.16956","","2.28","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117484","5.93816","0.00005","10.24207","0.00008","14.85187","0.00017","90","","92.2902","0.0006","90","","902.555","0.015","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Bi Ir2 O9 -","- Ba3 Bi Ir2 O9 -","- Ba12 Bi4 Ir8 O36 -","4","0.5","","Wojciech Miiller; Maxim Avdeev; Qingdi Zhou; Brendan J. Kennedy; Neeraj Sharma; Ramzi Kutteh; Gordon J. Kearley; Siegber Schmid; Kevin S. Knight; Peter E. R. Blanchard; Chris D. Ling","Giant Magnetoelastic Effect at the Opening of a Spin-Gap in Ba3BiIr2O9","Journal of the American Chemical Society","2012","134","","3265","3270","10.1021/ja211517h","powder diffraction","neutron","","","","","","","","","","0.14624","","2.03","","","","","","","has coordinates,has Fobs","178945","2020-10-21","18:00:00",""
"4117485","20.2808","0.001","31.1535","0.0014","13.2331","0.0007","90","","90","","90","","8360.9","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C68 H60 Ag4 Au4 B4 F16 N8 S8 -","- C68 H60 Ag4 Au4 B4 F16 N8 S8 -","- C272 H240 Ag16 Au16 B16 F64 N32 S32 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.0853","0.0823","","","0.2051","0.2078","","","","","","1.118","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117486","18.5786","0.0006","9.3933","0.0002","28.6536","0.0009","90","","94.522","0.003","90","","4984.9","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 Ag3 F6 N6 S6 -","- C51 H39 Ag3 F6 N6 S6 -","- C204 H156 Ag12 F24 N24 S24 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","0.71073","MoKα","","0.0962","0.0786","","","0.1862","0.1915","","","","","","1.326","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117487","17.0349","0.0005","35.2215","0.0008","16.1138","0.0005","90","","92.411","0.003","90","","9659.6","0.5","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 Ag4 Au4 B4 F24 N8 S8 -","- C68 H52 Ag4 Au4 B4 F24 N8 S8 -","- C272 H208 Ag16 Au16 B16 F96 N32 S32 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","0.71073","MoKα","","0.0613","0.045","","","0.1103","0.1165","","","","","","1.03","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117488","31.0857","0.0005","13.319","0.0003","29.7191","0.0005","90","","118.078","0.001","90","","10856.5","0.4","133","2","133","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8 -","- C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8 -","- C384 H336 Ag16 Au16 B16 Cl32 F64 N32 S32 -","4","0.5","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","0.71073","MoKα","","0.0381","0.0356","","","0.0889","0.0901","","","","","","1.168","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117489","14.0463","0.0004","15.4461","0.0004","16.3208","0.0005","112.674","0.001","93.402","0.001","108.513","0.001","3030.65","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H57 Ag3 N6 S6 -","- C69 H57 Ag3 N6 S6 -","- C138 H114 Ag6 N12 S12 -","2","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.0358","0.0286","","","0.0702","0.0754","","","","","","1.065","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117490","9.2851","0.0003","30.0971","0.0009","37.5323","0.0009","90","","90","","90","","10488.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H39 Au3 F6 N6 S6 -","- C51 H39 Au3 F6 N6 S6 -","- C408 H312 Au24 F48 N48 S48 -","8","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.1099","0.0997","","","0.2611","0.2699","","","","","","1.144","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117491","11.31","0.002","18.114","0.004","18.672","0.004","112.73","0.03","106.9","0.03","96.19","0.03","3269.1","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H65 Au3 N6 O S6 -","- C73 H65 Au3 N6 O S6 -","- C146 H130 Au6 N12 O2 S12 -","2","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.084","0.0749","","","0.1955","0.2067","","","","","","1.091","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117492","10.592","0.005","13.611","0.007","18.762","0.009","90","","90","","90","","2705","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cu N3 O5 -","- C31 H29 Cu N3 O5 -","- C124 H116 Cu4 N12 O20 -","4","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Alkylation of β-Ketoesters and Subsequent Cyclization to Spirolactones/Bi-spirolactones","Journal of the American Chemical Society","2012","134","","2946","2949","10.1021/ja211859w","","x-ray","0.71073","MoKα","","0.0441","0.0344","","","0.0754","0.0798","","","","","","1.038","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117493","11.858","0.006","6.136","0.003","23.502","0.011","90","","95.347","0.01","90","","1702.6","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Alkylation of β-Ketoesters and Subsequent Cyclization to Spirolactones/Bi-spirolactones","Journal of the American Chemical Society","2012","134","","2946","2949","10.1021/ja211859w","","x-ray","0.71073","MoKα","","0.065","0.0482","","","0.121","0.1338","","","","","","1.023","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117494","13.0491","0.0004","13.3708","0.0004","40.9566","0.0013","90","","92.13","","90","","7141","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-2,3-bis(tert-butyliminomethylene)- 1,4-diisopropyltetrasilane","","- C49 H120 N2 Si12 -","- C49 H120 N2 Si12 -","- C196 H480 N8 Si48 -","4","1","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","A New Disilene with π-Accepting Groups from the Reaction of Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]) with Isocyanides","Journal of the American Chemical Society","2012","134","","2954","2957","10.1021/ja212065a","","","0.71073","MoKα","","0.0982","0.0698","","","0.2113","0.2325","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117495","9.5952","0.0011","10.9258","0.0013","14.635","0.003","106.505","0.002","95.721","0.002","109.877","0.001","1350.2","0.4","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-2,3-dicyano- 1,4-diisopropyl-2-tetrasilene","","- C36 H90 N2 Si12 -","- C36 H90 N2 Si12 -","- C36 H90 N2 Si12 -","1","0.5","","Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi","A New Disilene with π-Accepting Groups from the Reaction of Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]) with Isocyanides","Journal of the American Chemical Society","2012","134","","2954","2957","10.1021/ja212065a","","","0.71073","MoKα","","0.0982","0.0562","","","0.1304","0.1417","","","","","","0.999","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117496","6.9781","0.0014","18.955","0.004","21.355","0.004","90","","96.569","0.003","90","","2806.1","1","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Br2 O4 -","- C34 H28 Br2 O4 -","- C136 H112 Br8 O16 -","4","1","","Akiko Yagi; Yasutomo Segawa; Kenichiro Itami","Synthesis and Properties of [9]Cyclo-1,4-naphthylene: A π-Extended Carbon Nanoring","Journal of the American Chemical Society","2012","134","","2962","2965","10.1021/ja300001g","","","0.7107","MoKα","","0.0527","0.0408","","","0.0903","0.0976","","","","","","1.066","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117497","7.5571","0.0011","12.8797","0.0016","14.111","0.002","68.14","0.005","83.629","0.006","76.933","0.006","1241.2","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 Br2 O2 -","- C32 H24 Br2 O2 -","- C64 H48 Br4 O4 -","2","1","","Akiko Yagi; Yasutomo Segawa; Kenichiro Itami","Synthesis and Properties of [9]Cyclo-1,4-naphthylene: A π-Extended Carbon Nanoring","Journal of the American Chemical Society","2012","134","","2962","2965","10.1021/ja300001g","","","0.7107","MoKα","","0.0322","0.0244","","","0.0561","0.0588","","","","","","1.031","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117498","10.2531","0.0006","13.9891","0.0009","15.2353","0.0009","95.947","0.003","107.78","0.003","97.433","0.003","2039.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Hf2 N2 O2 Si2 -","- C42 H60 Hf2 N2 O2 Si2 -","- C84 H120 Hf4 N4 O4 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","0.71073","MoKα","","0.0321","0.0244","","","0.0514","0.0539","","","","","","1.077","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117499","11.2581","0.0006","13.9369","0.0009","17.4621","0.001","80.324","0.003","86.219","0.003","89.165","0.003","2695","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H63 Hf2 I N2 O3 Si2 -","- C44 H63 Hf2 I N2 O3 Si2 -","- C88 H126 Hf4 I2 N4 O6 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","0.71073","MoKα","","0.0281","0.0224","","","0.0661","0.0685","","","","","","1.009","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117500","9.3309","0.0007","10.2407","0.0008","24.575","0.002","85.677","0.003","87.437","0.003","68.155","0.003","2173.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H63 Hf2 N2 O3 Si2 -","- C45 H63 Hf2 N2 O3 Si2 -","- C90 H126 Hf4 N4 O6 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","0.71073","MoKα","","0.0266","0.0199","","","0.0414","0.044","","","","","","1.017","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117501","11.2354","0.0004","13.7569","0.0004","20.0187","0.001","83.601","0.002","77.383","0.002","87.862","0.002","3000.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H78 Hf2 N4 O4 Si2 -","- C52 H78 Hf2 N4 O4 Si2 -","- C104 H156 Hf4 N8 O8 Si4 -","2","1","","Donald J. Knobloch; Scott P. Semproni; Emil Lobkovsky; Paul J. Chirik","Studies into the Mechanism of CO-Induced N2 Cleavage Promoted by an Ansa-Hafnocene Complex and C-C Bond Formation from an Observed Intermediate","Journal of the American Chemical Society","2012","134","","3377","3386","10.1021/ja208562d","","","1.54178","CuKα","","0.0307","0.0262","","","0.0659","0.068","","","","","","1.036","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117502","52.893","0.012","14.406","0.003","39.178","0.007","90","","104.803","0.004","90","","28862","10","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C124 H119 Cl Mo2 N12 O2 -","- C124 H119 Cl Mo2 N12 O2 -","- C992 H952 Cl8 Mo16 N96 O16 -","8","1","","Osamu Matsushita; Valentina M. Derkacheva; Atsuya Muranaka; Soji Shimizu; Masanobu Uchiyama; Evgeny A. Luk'yanets; Nagao Kobayashi","Rectangular-Shaped Expanded Phthalocyanines with Two Central Metal Atoms","Journal of the American Chemical Society","2012","134","","3411","3418","10.1021/ja209589x","","","0.71073","MoKα","","0.1314","0.0657","","","0.1619","0.1853","","","","","","0.889","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117503","19.874","0.004","36.991","0.007","26.996","0.005","90","","96.499","0.004","90","","19719","7","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C80 H462 Cl25 Co10 Gd42 O408 -","- C72 H140 Cl25 Co10 Gd42 O305 -","- C144 H280 Cl50 Co20 Gd84 O610 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1269","0.0794","","","0.1991","0.2184","","","","","","0.999","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117504","20.046","0.003","36.868","0.006","26.981","0.004","90","","97.142","0.004","90","","19786","5","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C86 H480 Cl25 Co10 Dy42 O411 -","- C72 H143 Cl25 Co10 Dy42 O314 -","- C144 H286 Cl50 Co20 Dy84 O628 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1341","0.0818","","","0.1882","0.2074","","","","","","1.002","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117505","19.5958","0.0009","36.8464","0.001","27.0024","0.0008","90","","96.293","0.004","90","","19379.2","1.2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H458 Cl24 Gd42 Ni10 O410 -","- C72 H140 Cl24 Gd42 Ni10 O302 -","- C144 H280 Cl48 Gd84 Ni20 O604 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1835","0.0853","","","0.1523","0.1662","","","","","","1.026","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117506","20.0757","0.0011","36.4581","0.0012","27.2538","0.0009","90","","98.715","0.004","90","","19717.3","1.4","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H458 Cl24 Dy42 Ni10 O410 -","- C72 H143 Cl24 Dy42 Ni10 O294 -","- C144 H286 Cl48 Dy84 Ni20 O588 -","2","0.5","","Jun-Bo Peng; Qian-Chong Zhang; Xiang-Jian Kong; Yan-Zhen Zheng; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng; Zhiping Zheng","High-Nuclearity 3d-4f Clusters as Enhanced Magnetic Coolers and Molecular Magnets","Journal of the American Chemical Society","2012","134","","3314","3317","10.1021/ja209752z","","","0.71073","MoKα","","0.1246","0.0667","","","0.1401","0.1512","","","","","","1.005","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117507","10.5462","0.0003","10.5462","0.0003","24.2854","0.0016","90","","90","","120","","2339.2","0.18","110","","110","","","","","","","","","4","P 32","P 32","145","","","","- C28 H58 P4 Ru -","- C28 H58 P4 Ru -","- C84 H174 P12 Ru3 -","3","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0293","0.0268","","","0.0583","0.0595","","","","","","1.056","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117508","10.4095","0.0013","14.9482","0.0019","26.671","0.003","90","","90","","90","","4150.1","0.9","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H72 P4 Ru -","- C42 H72 P4 Ru -","- C168 H288 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.029","0.0276","","","0.067","0.0675","","","","","","1.155","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117509","10.4162","0.0013","14.9533","0.0009","26.769","0.011","90","","90","","90","","4169.4","1.8","110","2","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H72 P4 Ru -","- C42 H72 P4 Ru -","- C168 H288 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.049","0.0452","","","0.1067","0.109","","","","","","1.093","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117510","10.7597","0.0006","17.135","0.001","20.224","0.0011","90","","105.116","0.001","90","","3599.6","0.4","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H68 P4 Ru Si -","- C32 H68 P4 Ru Si -","- C128 H272 P16 Ru4 Si4 -","4","2","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0342","0.0309","","","0.0655","0.0673","","","","","","1.034","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117511","10.8954","0.0006","18.2414","0.0009","18.2696","0.0009","90","","90","","90","","3631","0.3","110","0.2","110","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 P4 Ru Si -","- C34 H64 P4 Ru Si -","- C136 H256 P16 Ru4 Si4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.031","0.0275","","","0.0561","0.0578","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117512","11.2756","0.0004","17.8651","0.0005","11.2779","0.0005","90","","116.017","0.005","90","","2041.6","0.16","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H68 P4 Ru Si -","- C40 H68 P4 Ru Si -","- C80 H136 P8 Ru2 Si2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0331","0.0307","","","0.0781","0.0805","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117513","11.6044","0.0003","16.5646","0.0002","12.0137","0.0003","90","","118.031","0.003","90","","2038.4","0.1","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H64 P4 Ru Si -","- C42 H64 P4 Ru Si -","- C84 H128 P8 Ru2 Si2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0307","0.0273","","","0.0584","0.06","","","","","","1.015","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117514","10.09766","0.00017","18.0979","0.0003","20.9211","0.0003","90","","90","","90","","3823.26","0.11","110","2","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H69 B O2 P4 Ru -","- C34 H69 B O2 P4 Ru -","- C136 H276 B4 O8 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0289","0.0249","","","0.0524","0.054","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117515","10.2481","0.0003","17.7037","0.0005","19.8698","0.0005","90","","90","","90","","3604.96","0.17","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 P4 Ru -","- C38 H60 P4 Ru -","- C152 H240 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0281","0.0251","","","0.0526","0.0538","","","","","","1.058","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117516","10.2545","0.0014","17.707","0.002","19.889","0.003","90","","90","","90","","3611.4","0.8","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 P4 Ru -","- C38 H60 P4 Ru -","- C152 H240 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0284","0.0242","","","0.0545","0.0562","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117517","12.52495","0.00014","12.65101","0.00013","12.52993","0.00013","90","","92.9129","0.001","90","","1982.84","0.04","110","","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H57 F5 P4 Ru -","- C42 H57 F5 P4 Ru -","- C84 H114 F10 P8 Ru2 -","2","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0278","0.0257","","","0.053","0.0541","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117518","11.60235","0.00014","13.80119","0.00014","19.8946","0.0002","90","","90","","90","","3185.65","0.06","110","","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H56 Cl2 P4 Ru -","- C28 H56 Cl2 P4 Ru -","- C112 H224 Cl8 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0366","0.0317","","","0.0556","0.0576","","","","","","1.014","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117519","9.666","0.003","11.403","0.002","15.665","0.004","73.02","0.02","89.56","0.02","75.84","0.02","1597.4","0.7","110","","110","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H57 Br P4 Ru -","- C28 H57 Br P4 Ru -","- C56 H114 Br2 P8 Ru2 -","2","2","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0336","0.0296","","","0.0532","0.0551","","","","","","1.016","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117520","19.562","0.012","20.298","0.013","7.523","0.005","90","","90","","90","","2987","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dithiophene-benzothiazole","Me2T-BT","","- C16 H12 N2 S3 -","- C16 H12 N2 S3 -","- C128 H96 N16 S24 -","8","1","","Itaru Osaka; Masafumi Shimawaki; Hiroki Mori; Iori Doi; Eigo Miyazaki; Tomoyuki Koganezawa; Kazuo Takimiya","Synthesis, Characterization, and Transistor and Solar Cell Applications of a Naphthobisthiadiazole-Based Semiconducting Polymer","Journal of the American Chemical Society","2012","134","","3498","3507","10.1021/ja210687r","","","0.7107","MoKα","","0.0842","0.0599","","","0.1463","0.1656","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117521","11.7955","0.0015","8.5619","0.0009","18.814","0.002","90","","106.722","0.0013","90","","1819.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Me2T-NTz","Me2T-NTz","","- C20 H12 N4 S4 -","- C20 H12 N4 S4 -","- C80 H48 N16 S16 -","4","0.5","","Itaru Osaka; Masafumi Shimawaki; Hiroki Mori; Iori Doi; Eigo Miyazaki; Tomoyuki Koganezawa; Kazuo Takimiya","Synthesis, Characterization, and Transistor and Solar Cell Applications of a Naphthobisthiadiazole-Based Semiconducting Polymer","Journal of the American Chemical Society","2012","134","","3498","3507","10.1021/ja210687r","","","0.7107","MoKα","","0.0499","0.0398","","","0.1043","0.1123","","","","","","0.745","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117522","7.6205","0.0003","21.0602","0.001","9.6221","0.0003","90","","91.877","0.002","90","","1543.42","0.11","150","1","150","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H12 Br2 Te -","- C16 H12 Br2 Te -","- C64 H48 Br8 Te4 -","4","2","","Theresa M. McCormick; Ashlee A. Jahnke; Alan J. Lough; Dwight S. Seferos","Tellurophenes with Delocalized π-Systems and Their Extended Valence Adducts","Journal of the American Chemical Society","2012","134","","3542","3548","10.1021/ja210763n","","","0.71073","MoKα","","0.0928","0.0507","","","0.1105","0.1325","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117523","11.3815","0.0004","20.0676","0.0007","29.4371","0.0011","90","","98.782","0.002","90","","6644.6","0.4","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50.65 H55.86 N10.55 O13.55 Zn2 -","- C50.656 H55.864 N10.552 O13.552 Zn2 -","- C202.624 H223.456 N42.208 O54.208 Zn8 -","4","1","","John M. Roberts; Branden M. Fini; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp; Karl A. Scheidt","Urea Metal-Organic Frameworks as Effective and Size-Selective Hydrogen-Bond Catalysts","Journal of the American Chemical Society","2012","134","","3334","3337","10.1021/ja2108118","","","1.54184","CuKα","","0.1417","0.1303","","","0.3333","0.3435","","","","","","1.085","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117524","12.501","0.0007","8.0411","0.0005","16.9607","0.0008","90","","104.235","0.003","90","","1652.57","0.16","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0663","0.0467","","","0.1216","0.1312","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117525","20.9617","0.001","12.1499","0.0006","15.6024","0.0012","90","","132.142","0.001","90","","2946.4","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Cl O4 -","- C16 H17 Cl O4 -","- C128 H136 Cl8 O32 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0344","0.0286","","","0.0718","0.0758","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117526","20.8718","0.0005","12.2563","0.0003","15.6088","0.0004","90","","131.512","0.002","90","","2989.95","0.16","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C128 H136 Br8 O32 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0289","0.0258","","","0.0639","0.0653","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117527","18.0165","0.0011","7.1641","0.0005","16.509","0.0013","90","","113.92","0.004","90","","1947.8","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O6 -","- C23 H24 O6 -","- C92 H96 O24 -","4","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.1294","0.0524","","","0.1031","0.1253","","","","","","0.879","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117528","11.075","0.002","12.387","0.003","12.712","0.003","90","","103.418","0.005","90","","1696.3","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.0589","0.0453","","","0.1262","0.1332","","","","","","1.067","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117529","14.7367","0.0004","7.3238","0.0002","30.8713","0.0008","90","","90","","90","","3331.9","0.15","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C144 H176 O56 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.095","0.0411","","","0.0764","0.0879","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117530","10.5434","0.0011","11.0635","0.0019","14.3107","0.0011","104.502","0.002","97.703","0.002","99.046","0.004","1569.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 N4 Ru S4 -","- C72.156 H76.156 N4 Ru S4 -","- C72.156 H76.156 N4 Ru S4 -","1","0.5","","Júlio S. Rebouças; Brian O. Patrick; Brian R. James","Thiol, Disulfide, and Trisulfide Complexes of Ru Porphyrins: Potential Models for Iron-Sulfur Bonds in Heme Proteins","Journal of the American Chemical Society","2012","134","","3555","3570","10.1021/ja211226e","","","0.71069","MoKα","","0.047","0.0388","","","0.1005","0.1047","","","","","","1.09","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117531","21.4069","0.0012","10.5671","0.0007","21.9699","0.0012","90","","101.18","0.0018","90","","4875.5","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Cl N O4 -","- C27 H28 Cl N O4 -","- C216 H224 Cl8 N8 O32 -","8","2","","Yoshihiro Miyake; Kazunari Nakajima; Yoshiaki Nishibayashi","Visible-Light-Mediated Utilization of α-Aminoalkyl Radicals: Addition to Electron-Deficient Alkenes Using Photoredox Catalysts","Journal of the American Chemical Society","2012","134","","3338","3341","10.1021/ja211770y","","","0.71075","MoKα","","","0.0869","","","","0.1399","","","","","","1","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117532","5.202475","0.000004","5.202475","","14.01449","0.00011","90","","90","","120","","328.494","0.003","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe0.33 O Sc0.33 -","- Fe0.333333 O Sc0.333333 -","- Fe6 O18 Sc6 -","18","1","","Man-Rong Li; Umut Adem; Sean R. C. McMitchell; Zhongling Xu; Chris I. Thomas; John E. Warren; Duong V. Giap; Hongjun Niu; Xinming Wan; Robert G. Palgrave; Florian Schiffmann; Furio Cora; Ben Slater; Tim L. Burnett; Markys G. Cain; Artem M. Abakumov; Gustaaf van Tendeloo; Michael F. Thomas; Matthew J. Rosseinsky; John B. Claridge","A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature","Journal of the American Chemical Society","2012","134","","3737","3747","10.1021/ja208395z","powder diffraction","neutron","","","","","","","","","","0.0982","","1.03","","","","","","","has coordinates,has Fobs","178946","2020-10-21","18:00:00",""
"4117533","5.202432","0.000007","5.202446","0.000007","14.0145","0.00011","90","","90","","119.999","","328.494","0.003","","","","","","","","","","","","1","P 1","P 1","1","","","","- Fe -","- Fe -","- Fe6 -","6","6","","Man-Rong Li; Umut Adem; Sean R. C. McMitchell; Zhongling Xu; Chris I. Thomas; John E. Warren; Duong V. Giap; Hongjun Niu; Xinming Wan; Robert G. Palgrave; Florian Schiffmann; Furio Cora; Ben Slater; Tim L. Burnett; Markys G. Cain; Artem M. Abakumov; Gustaaf van Tendeloo; Michael F. Thomas; Matthew J. Rosseinsky; John B. Claridge","A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature","Journal of the American Chemical Society","2012","134","","3737","3747","10.1021/ja208395z","powder diffraction","neutron","","","","","","","","","","0.0982","","1.03","","","","","","","has coordinates,has Fobs","292204","2024-06-05","14:01:47",""
"4117534","12.3629","0.0001","12.4197","0.0001","22.4555","0.0003","96.057","0.001","90.322","0.001","104.885","0.001","3311.67","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H58 Ga10 N6 O S17 -","- C42 H58 Ga10 N6 O S17 -","- C84 H116 Ga20 N12 O2 S34 -","2","1","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.0381","0.0256","","","0.0529","0.0577","","","","","","1.031","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117535","21.7073","0.0001","21.7073","0.0001","28.5686","0.0003","90","","90","","120","","11658.2","0.14","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H27 Ga10 N9 O3 S16 -","- C21 H27 Ga10 N9 O3 S16 -","- C126 H162 Ga60 N54 O18 S96 -","6","0.333333","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1097","0.0892","","","0.2905","0.3203","","","","","","1.093","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117536","15.2866","0.0004","30.0105","0.0007","20.3917","0.0004","90","","110.852","0.001","90","","8742.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H In10 N O9.09 S16 -","- C14.7273 H21.8182 In3.63636 N3.63636 S5.81818 -","- C162 H240 In40 N40 S64 -","11","2.75","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1231","0.0828","","","0.2398","0.2746","","","","","","1.08","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117537","19.3156","0.0004","32.7633","0.0008","23.1691","0.0005","90","","114.135","0.001","90","","13380.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cd4 In16 N8 S31 -","- C28 H48 Cd4 In16 N8 S31 -","- C112 H192 Cd16 In64 N32 S124 -","4","1","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1603","0.0851","","","0.2769","0.3445","","","","","","1.026","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117538","21.8413","0.0002","21.8413","0.0002","36.2785","0.0007","90","","90","","90","","17306.4","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C70 H120 Cd4 In16 N20 S31 -","- C70 H120 Cd4 In16 N20 S31 -","- C280 H480 Cd16 In64 N80 S124 -","4","0.25","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1409","0.0714","","","0.2314","0.3224","","","","","","1.072","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117539","28.0877","0.0004","28.0877","0.0004","26.7025","0.0004","90","","90","","90","","21066.1","0.5","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C40 Cd13 In22 N4 S52 -","- C40 Cd13 In22 N4 S52 -","- C160 Cd52 In88 N16 S208 -","4","0.125","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.2824","0.1946","","","0.4616","0.6185","","","","","","0.974","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117540","28.0877","0.0004","28.0877","0.0004","26.7025","0.0004","90","","90","","90","","21066.1","0.5","150","2","150","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Cd13 In22 N4 S52 -","- Cd13 In22 N4 S52 -","- Cd52 In88 N16 S208 -","4","0.125","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1591","0.1238","","","0.3497","0.3751","","","","","","1.063","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117541","17.5175","0.0005","17.6943","0.0005","23.4522","0.0007","106.526","0.002","99.634","0.002","98.379","0.002","6725.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Cd4 In16 N8 S31 -","- C30 H45 Cd4 In16 N8 S31 -","- C60 H90 Cd8 In32 N16 S62 -","2","1","","Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng","Superbase Route to Supertetrahedral Chalcogenide Clusters","Journal of the American Chemical Society","2012","134","","3619","3622","10.1021/ja210039u","","","0.71073","MoKα","","0.1685","0.0973","","","0.3085","0.3776","","","","","","1.027","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117542","29.4139","0.0009","51.1644","0.0009","30.5935","0.0012","90","","114.979","0.004","90","","41735","3","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- H794 Mo186 Na24 O958 -","- Mo184 Na15.4 O762.4 -","- Mo368 Na30.8 O1524.8 -","2","0.25","","Haralampos N. Miras; Craig J. Richmond; De-Liang Long; Leroy Cronin","Solution-Phase Monitoring of the Structural Evolution of a Molybdenum Blue Nanoring","Journal of the American Chemical Society","2012","134","","3816","3824","10.1021/ja210206z","","","1.54184","CuKα","","0.1132","0.0757","","","0.2068","0.2177","","","","","","0.971","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117543","8.5019","0.0011","20.951","0.003","8.7237","0.0012","90","","110.586","0.002","90","","1454.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0593","0.0398","","","0.0868","0.0955","","","","","","1.016","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117544","8.4721","0.0013","20.89","0.003","8.7019","0.0013","90","","110.65","0.002","90","","1441.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13.2 F3.8 N4 O2 -","- C14 H13.2 F3.8 N4 O2 -","- C56 H52.8 F15.2 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0754","0.0606","","","0.1637","0.1775","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117545","8.436","0.004","20.805","0.011","8.676","0.004","90","","110.68","0.008","90","","1424.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13.4 F3.6 N4 O2 -","- C14 H13.4 F3.6 N4 O2 -","- C56 H53.6 F14.4 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.131","0.0514","","","0.0949","0.11","","","","","","0.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117546","8.8193","0.0017","15.674","0.003","20.839","0.004","90","","90","","90","","2880.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","12% H, 88% F","","- C14 H13.48 F3.52 N4 O2 -","- C14 H13.48 F3.52 N4 O2 -","- C112 H107.84 F28.16 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0674","0.0447","","","0.098","0.1081","","","","","","1.045","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117547","8.7678","0.0007","15.631","0.0012","20.7838","0.0016","90","","90","","90","","2848.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N4 O2 -","- C14 H14 F3 N4 O2 -","- C112 H112 F24 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0487","0.0391","","","0.096","0.1015","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117548","8.694","0.003","15.491","0.004","20.569","0.006","90","","90","","90","","2770.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 F4 N8 O4 -","- C28 H30 F4 N8 O4 -","- C112 H120 F16 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0839","0.0663","","","0.1541","0.1638","","","","","","1.136","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117549","8.6527","0.0008","15.3511","0.0015","20.396","0.002","90","","90","","90","","2709.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 F N4 O2 -","- C14 H16 F N4 O2 -","- C112 H128 F8 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0682","0.0571","","","0.1314","0.137","","","","","","1.176","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117550","8.6503","0.0008","15.31","0.0014","20.3524","0.0018","90","","90","","90","","2695.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.32 F0.68 N4 O2 -","- C14 H16.32 F0.68 N4 O2 -","- C112 H130.56 F5.44 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0594","0.0541","","","0.1247","0.1278","","","","","","1.139","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117551","8.651","0.004","15.285","0.006","20.327","0.008","90","","90","","90","","2687.9","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.7 F0.4 N4 O2 -","- C14 H16.7 F0.4 N4 O2 -","- C112 H133.6 F3.2 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1129","0.0658","","","0.1425","0.1658","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117552","8.6236","0.0006","15.2101","0.001","20.2137","0.0013","90","","90","","90","","2651.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C112 H136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0476","0.0401","","","0.1008","0.1054","","","","","","1.065","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117553","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117554","8.8962","0.0002","16.1695","0.0004","20.6719","0.0005","90","","90","","90","","2973.59","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27.6 F6.4 N8 O4 -","- C28 H27.6 F6.4 N8 O4 -","- C112 H110.4 F25.6 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1233","0.1056","","","0.3311","0.3467","","","","","","2.786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117555","8.7685","0.0003","15.6827","0.0006","20.2294","0.0009","90","","90","","90","","2781.82","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.11 F0.89 N4 O2 -","- C14 H13 F0.892 N4 O2 -","- C112 H104 F7.136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0859","0.0563","","","0.1328","0.1443","","","","","","1.1","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117556","9.2277","0.0017","9.7367","0.0018","15.016","0.003","104.918","0.004","96.052","0.003","92.312","0.004","1293.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","PIIV48work","","","- C23 H27 Cl2 N5 O6 S -","- C23 H27 Cl2 N5 O6 S -","- C46 H54 Cl4 N10 O12 S2 -","2","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.062","0.0561","","","0.1297","0.1331","","","","","","1.128","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117557","10.744","0.003","11.488","0.003","12.803","0.003","74.91","0.004","82.69","0.004","83.941","0.004","1509","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 Cl4 N5 O6 S -","- C25 H31 Cl4 N5 O6 S -","- C50 H62 Cl8 N10 O12 S2 -","2","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.0729","0.0626","","","0.1581","0.1671","","","","","","1.022","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117558","14.5542","0.0005","11.5548","0.0004","18.0747","0.0007","90","","90","","90","","3039.64","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","work","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C128 H168 N8 O16 S8 -","8","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.0349","0.0321","","","0.0836","0.0858","","","","","","1.067","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117559","11.3728","0.0003","11.56","0.0004","14.2743","0.0005","106.214","0.001","95.5915","0.0008","117.303","0.0008","1544.3","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 F6 Ir N2 O11 S2 -","- C22 H27 F6 Ir N2 O11 S2 -","- C44 H54 F12 Ir2 N4 O22 S4 -","2","1","","Ryoko Kawahara; Ken-ichi Fujita; Ryohei Yamaguchi","Dehydrogenative Oxidation of Alcohols in Aqueous Media Using Water-Soluble and Reusable Cp*Ir Catalysts Bearing a Functional Bipyridine Ligand","Journal of the American Chemical Society","2012","134","","3643","3646","10.1021/ja210857z","","","0.71075","MoKα","","","0.0328","","","","0.0573","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117560","23.206","0.005","29.202","0.002","31.76","0.002","90","","90","","90","","21523","5","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C114 H112 Cl6 Lu N16 S8 -","- C114 H112 Cl6 Lu N16 S8 -","- C912 H896 Cl48 Lu8 N128 S64 -","8","0.25","","Mehmet Menaf Ayhan; Anu Singh; Catherine Hirel; Ayşe Gül Gürek; Vefa Ahsen; Erwann Jeanneau; Isabelle Ledoux-Rak; Joseph Zyss; Chantal Andraud; Yann Bretonnière","ABAB Homoleptic Bis(phthalocyaninato)lutetium(III) Complex: Toward the Real Octupolar Cube and Giant Quadratic Hyperpolarizability","Journal of the American Chemical Society","2012","134","","3655","3658","10.1021/ja211064a","","","0.7107","MoKα","","0.0716","0.0591","","0.1704","0.1461","0.1704","","","","","","0.9565","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117561","11.045","0.008","11.045","0.008","8.163","0.006","90","","90","","90","","995.8","1.3","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C20 H16 Cu F6 N4 Si -","- C20 H16 Cu F6 N4 Si -","- C20 H16 Cu F6 N4 Si -","1","0.0625","","Stephen D. Burd; Shengqian Ma; Jason A. Perman; Benjamin J. Sikora; Randall Q. Snurr; Praveen K. Thallapally; Jian Tian; Lukasz Wojtas; Michael J. Zaworotko","Highly Selective Carbon Dioxide Uptake by [Cu(bpy-n)2(SiF6)] (bpy-1 = 4,4'-Bipyridine; bpy-2 = 1,2-Bis(4-pyridyl)ethene)","Journal of the American Chemical Society","2012","134","","3663","3666","10.1021/ja211340t","","","0.41328","synchrotron","","0.0466","0.0451","","","0.1355","0.1363","","","","","","1.086","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117562","18.8471","0.0011","18.8471","0.0011","7.9975","0.0005","90","","90","","90","","2840.8","0.3","100","2","100","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C24 H20 Cu F6 N4 Si -","- C24 H20 Cu F6 N4 Si -","- C48 H40 Cu2 F12 N8 Si2 -","2","0.125","","Stephen D. Burd; Shengqian Ma; Jason A. Perman; Benjamin J. Sikora; Randall Q. Snurr; Praveen K. Thallapally; Jian Tian; Lukasz Wojtas; Michael J. Zaworotko","Highly Selective Carbon Dioxide Uptake by [Cu(bpy-n)2(SiF6)] (bpy-1 = 4,4'-Bipyridine; bpy-2 = 1,2-Bis(4-pyridyl)ethene)","Journal of the American Chemical Society","2012","134","","3663","3666","10.1021/ja211340t","","","1.54178","CuKα","","0.0722","0.0686","","","0.193","0.1956","","","","","","1.089","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117563","8.7173","0.0004","8.5002","0.0003","9.0429","0.0003","90","","96.081","0.002","90","","666.3","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Heather C. Johnson; Alasdair P. M. Robertson; Adrian B. Chaplin; Laura J. Sewell; Amber L. Thompson; Mairi F. Haddow; Ian Manners; Andrew S. Weller","Correction to Catching the First Oligomerization Event in the Catalytic Formation of Polyaminoboranes: H3B.NMeHBH2.NMeH2 Bound to Iridium","Journal of the American Chemical Society","2012","134","","3932","3932","10.1021/ja211731p","","","0.71073","MoKα","","0.0396","0.0349","","","0.0958","0.0996","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117564","8.7323","0.0004","13.4187","0.0006","11.3803","0.0005","90","","101.992","0.001","90","","1304.4","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0397","0.038","","","0.0991","0.1009","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117565","18.3527","0.0008","7.6789","0.0004","16.5549","0.0008","90","","90","","90","","2333.06","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H23 Cl N4 O5 -","- C26 H23 Cl N4 O5 -","- C104 H92 Cl4 N16 O20 -","4","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0527","0.0424","","","0.0912","0.0962","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117566","17.207","0.003","7.2719","0.0012","18.428","0.003","90","","90","","90","","2305.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C104 H96 N16 O24 -","8","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0805","0.0454","","","0.0793","0.0868","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117567","10.2686","0.0006","10.9392","0.0007","11.3165","0.0006","97.256","0.001","116.195","0.001","102.462","0.001","1077.56","0.11","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C60 H52 N4 -","2","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.0747","0.0492","","","0.1301","0.1583","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117568","12.1452","0.0004","19.8949","0.0007","9.0046","0.0003","90","","90.59","0.002","90","","2175.64","0.13","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C120 H104 N8 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.0654","0.0458","","","0.1174","0.137","","","","","","1.052","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117569","9.8508","0.0003","19.2961","0.0006","10.3465","0.0003","90","","101.119","0.001","90","","1929.77","0.1","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 -","- C27 H26 N2 -","- C108 H104 N8 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.054","0.0424","","","0.1126","0.1258","","","","","","1.09","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117570","18.3248","0.0009","15.0664","0.0008","16.5116","0.0008","90","","112.927","0.003","90","","4198.5","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 -","- C28 H28 N2 -","- C224 H224 N16 -","8","2","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.1113","0.0755","","","0.1884","0.2267","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117571","25.0228","0.0014","8.3677","0.0004","6.5763","0.0004","90","","90","","90","","1376.97","0.13","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H16 N2 O S -","- C15 H16 N2 O S -","- C60 H64 N8 O4 S4 -","4","1","","Yi-Feng Wang; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic [3+2]-Annulation of N-Alkenyl Amidines","Journal of the American Chemical Society","2012","134","","3679","3682","10.1021/ja2120629","","","0.71073","MoKα","","0.034","0.0303","","","0.0842","0.1","","","","","","1.174","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117572","12.05","0.002","15.207","0.003","17.854","0.004","102.894","0.003","96.042","0.003","100.331","0.003","3101.2","1.1","123.1","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H52 Cl4 Co N8 -","- C82 H52 Cl4 Co N8 -","- C164 H104 Cl8 Co2 N16 -","2","1","","Tatsuhiko Honda; Takahiko Kojima; Shunichi Fukuzumi","Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine","Journal of the American Chemical Society","2012","134","","4196","4206","10.1021/ja209978q","","","0.7107","MoKα","","","0.0735","","","","0.2006","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117573","14.798","0.0011","21.3174","0.0016","27.914","0.003","90","","90","","90","","8805.6","1.3","123.1","","123.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C115 H89 Cl2 Co N8 -","- C115 H89 Cl2 Co N8 -","- C460 H356 Cl8 Co4 N32 -","4","1","","Tatsuhiko Honda; Takahiko Kojima; Shunichi Fukuzumi","Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine","Journal of the American Chemical Society","2012","134","","4196","4206","10.1021/ja209978q","","","0.7107","MoKα","","","0.0446","","","","0.0949","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117574","9.8119","0.0004","12.8887","0.0011","14.0085","0.0013","102.693","0.004","95.542","0.004","106.709","0.004","1630.9","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H13 B F15 P -","- C33 H13 B F15 P -","- C66 H26 B2 F30 P2 -","2","1","","Thomas Wiegand; Hellmut Eckert; Olga Ekkert; Roland Fröhlich; Gerald Kehr; Gerhard Erker; Stefan Grimme","New Insights into Frustrated Lewis Pairs: Structural Investigations of Intramolecular Phosphane-Borane Adducts by Using Modern Solid-State NMR Techniques and DFT Calculations","Journal of the American Chemical Society","2012","134","","4236","4249","10.1021/ja210160k","","","1.54178","CuKα","","0.056","0.0466","","","0.1289","0.1367","","","","","","1.039","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117575","7.6025","0.0008","15.0667","0.0017","10.5922","0.001","90","","90","","90","","1213.3","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N Se2 -","- C13 H11 N Se2 -","- C52 H44 N4 Se8 -","4","1","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0507","0.04","","","0.1018","0.1114","","","","","","0.798","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117576","10.8085","0.0011","11.5763","0.0011","10.5415","0.001","90","","93.079","0.004","90","","1317.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N Se2 -","- C14 H13 N Se2 -","- C56 H52 N4 Se8 -","4","1","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0818","0.0406","","","0.1124","0.1395","","","","","","0.806","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117577","7.9434","0.0007","8.0334","0.0008","19.9028","0.0019","80.665","0.006","80.049","0.006","82.737","0.007","1228","0.2","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H10.5 N O S Se -","- C13 H12 N S Se -","- C52 H48 N4 S4 Se4 -","4","4","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.2531","0.0655","","","0.1275","0.1917","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117578","9.0033","0.0015","10.0187","0.0014","14.811","0.0019","74.78","0.008","82.647","0.009","89.84","","1277.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N Se2 -","- C12.995 H13 N Se2 -","- C51.98 H52 N4 Se8 -","4","2","","Debasish Manna; Govindasamy Mugesh","Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding","Journal of the American Chemical Society","2012","134","","4269","4279","10.1021/ja210478k","","","0.71073","MoKα","","0.0558","0.0558","","","0.1564","0.1564","","","","","","1.099","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117579","9.9484","0.0008","20.9541","0.0017","19.5857","0.0016","90","","104.256","0.001","90","","3957.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 Eu2 N O24 -","- C33 H29 Eu2 N O23.99 -","- C132 H116 Eu8 N4 O95.96 -","4","1","","Yuanjing Cui; Hui Xu; Yanfeng Yue; Zhiyong Guo; Jiancan Yu; Zhenxia Chen; Junkuo Gao; Yu Yang; Guodong Qian; Banglin Chen","A Luminescent Mixed-Lanthanide Metal-Organic Framework Thermometer","Journal of the American Chemical Society","2012","134","","3979","3982","10.1021/ja2108036","","","0.71073","MoKα","","0.0443","0.0362","","","0.1025","0.1264","","","","","","1.123","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117580","9.9094","0.0012","20.885","0.003","19.509","0.002","90","","104.274","0.002","90","","3912.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 N O24 Tb2 -","- C33 H29 N O23.99 Tb2 -","- C132 H116 N4 O95.96 Tb8 -","4","1","","Yuanjing Cui; Hui Xu; Yanfeng Yue; Zhiyong Guo; Jiancan Yu; Zhenxia Chen; Junkuo Gao; Yu Yang; Guodong Qian; Banglin Chen","A Luminescent Mixed-Lanthanide Metal-Organic Framework Thermometer","Journal of the American Chemical Society","2012","134","","3979","3982","10.1021/ja2108036","","","0.71073","MoKα","","0.0436","0.037","","","0.0804","0.085","","","","","","1.06","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117581","14.1583","0.0019","10.1383","0.0014","17.04","0.002","90","","109.332","0.002","90","","2308","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 F6 O11 S2 Sn -","- C12 H22 F6 O11 S2 Sn -","- C48 H88 F24 O44 S8 Sn4 -","4","1","","Charles L. B. Macdonald; Rajoshree Bandyopadhyay; Benjamin F. T. Cooper; Warren W. Friedl; Aaron J. Rossini; Robert W. Schurko; S. Holger Eichhorn; Rolfe H. Herber","Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands","Journal of the American Chemical Society","2012","134","","4332","4345","10.1021/ja211135s","","","0.71073","MoKα","","0.0987","0.07","","","0.122","0.1325","","","","","","1.198","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117582","8.7518","0.0008","16.127","0.0014","14.8106","0.0013","90","","101.022","0.001","90","","2051.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 F6 O10 S2 Sn -","- C10 H18 F6 O10 S2 Sn -","- C40 H72 F24 O40 S8 Sn4 -","4","1","","Charles L. B. Macdonald; Rajoshree Bandyopadhyay; Benjamin F. T. Cooper; Warren W. Friedl; Aaron J. Rossini; Robert W. Schurko; S. Holger Eichhorn; Rolfe H. Herber","Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands","Journal of the American Chemical Society","2012","134","","4332","4345","10.1021/ja211135s","","","0.71073","MoKα","","0.0521","0.0395","","","0.0954","0.1114","","","","","","1.133","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117583","33.975","0.003","33.975","0.003","33.975","0.003","90","","90","","90","","39217","6","188","2","188","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C27.5 H26.5 In N1.5 O9.5 -","- C20 H10 In O8 -","- C960 H480 In48 O384 -","48","1","","Dorina F. Sava; Lauren E. S. Rohwer; Mark A. Rodriguez; Tina M. Nenoff","Intrinsic Broad-Band White-Light Emission by a Tuned, Corrugated Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","3983","3986","10.1021/ja211230p","","","0.71073","MoKα","","0.1118","0.0691","","","0.2242","0.2664","","","","","","0.924","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117584","21.1293","0.0011","16.4835","0.001","24.969","0.0015","90","","92.76","0.003","90","","8686.2","0.9","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C56 H24 N13 O22.5 Ru2 Zn5 -","- C56 H24 N13 O22.5 Ru2 Zn5 -","- C224 H96 N52 O90 Ru8 Zn20 -","4","1","","Caleb A. Kent; Demin Liu; Thomas J. Meyer; Wenbin Lin","Amplified Luminescence Quenching of Phosphorescent Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","3991","3994","10.1021/ja211271m","","","1.54178","CuKα","","0.1486","0.0856","","","0.1957","0.2145","","","","","","0.896","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117585","19.543","0.002","7.6021","0.0009","19.03","0.003","90","","117.214","0.005","90","","2514.3","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H33 N O3 S Si -","- C25 H33 N O3 S Si -","- C100 H132 N4 O12 S4 Si4 -","4","1","","Haejin Kim; Young Ho Rhee","Stereodefined N,O-Acetals: Pd-Catalyzed Synthesis from Homopropargylic Amines and Utility in the Flexible Synthesis of 2,6-Substituted Piperidines","Journal of the American Chemical Society","2012","134","","4011","4014","10.1021/ja2116298","","","0.71073","MoKα","","0.0604","0.0443","","","0.1052","0.1165","","","","","","1.033","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117586","6.3294","0.0005","14.236","0.0012","20.5165","0.0015","90","","90","","90","","1848.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Haejin Kim; Young Ho Rhee","Stereodefined N,O-Acetals: Pd-Catalyzed Synthesis from Homopropargylic Amines and Utility in the Flexible Synthesis of 2,6-Substituted Piperidines","Journal of the American Chemical Society","2012","134","","4011","4014","10.1021/ja2116298","","","0.71073","MoKα","","0.0734","0.0489","","","0.1099","0.1213","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117587","30.495","0.002","12.5164","0.0009","13.3325","0.0012","90","","90","","90","","5088.9","0.7","153","2","153","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C47 H50 F6 Fe N6.5 O9.5 S2 -","- C45 H42 F6 Fe N6.5 O9 S2 -","- C180 H168 F24 Fe4 N26 O36 S8 -","4","1","","Justin M. Dragna; Gennaro Pescitelli; Lee Tran; Vincent M. Lynch; Eric V. Anslyn; Lorenzo Di Bari","In Situ Assembly of Octahedral Fe(II) Complexes for the Enantiomeric Excess Determination of Chiral Amines Using Circular Dichroism Spectroscopy","Journal of the American Chemical Society","2012","134","","4398","4407","10.1021/ja211768v","","","0.71069","MoKα","","0.1689","0.0948","","","0.157","0.1752","","","","","","1.373","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117588","6.5844","0.0007","8.8601","0.001","18.55","0.002","90","","90","","90","","1082.2","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0327","0.0318","","","0.0781","0.0789","","","","","","1.088","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117589","11.4894","0.0012","15.611","0.002","19.049","0.003","90","","90","","90","","3416.6","0.8","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C144 H180 N12 O36 -","12","3","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0961","0.086","","","0.2082","0.2161","","","","","","1.156","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117590","6.443","0.005","8.274","0.006","10.374","0.007","90","","97.033","0.017","90","","548.9","0.7","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C24 H38 N2 O6 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.1182","0.0952","","","0.2242","0.2557","","","","","","1.008","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117591","6.5505","0.0004","8.8117","0.0005","18.9261","0.0011","90","","90","","90","","1092.43","0.11","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.032","0.0293","","","0.0759","0.0774","","","","","","1.023","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117592","6.7608","0.0003","11.1455","0.0004","21.7524","0.0009","90","","90","","90","","1639.1","0.12","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0268","0.0253","","","0.0626","0.0638","","","","","","1.044","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117593","13.793","0.002","6.1239","0.0009","17.4312","0.0018","90","","90.656","0.005","90","","1472.3","0.3","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H37 Cl3 N2 O2 -","- C33 H37 Cl3 N2 O2 -","- C66 H74 Cl6 N4 O4 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0745","0.0498","","","0.0994","0.1101","","","","","","1.014","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117594","6.139","0.0004","11.7027","0.0008","12.4248","0.0009","90","","90","","90","","892.63","0.11","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0237","0.0231","","","0.0615","0.0622","","","","","","1.083","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117595","19.5652","0.001","8.0489","0.0005","10.2863","0.0006","90","","92.028","0.002","90","","1618.85","0.16","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C38 H46 N4 O7 -","- C38 H46 N4 O7 -","- C76 H92 N8 O14 -","2","0.5","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0366","0.0326","","","0.0811","0.0833","","","","","","1.003","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117596","8.7006","0.0008","7.1701","0.0006","12.1807","0.0011","90","","107.222","0.005","90","","725.81","0.11","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0709","0.045","","","0.096","0.1057","","","","","","1.009","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117597","10.3226","0.0003","20.8136","0.0006","23.2182","0.0006","91.7591","0.0012","102.708","0.0014","94.3537","0.0015","4846.4","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H138 Ge2 N2 -","- C118 H138 Ge2 N2 -","- C236 H276 Ge4 N4 -","2","1","","Zachary D. Brown; Petra Vasko; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","A Germanium Isocyanide Complex Featuring (n →π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C-H Bond Activation under Mild Conditions","Journal of the American Chemical Society","2012","134","","4045","4048","10.1021/ja211874u","","","1.54178","CuKα","","0.052","0.0456","","","0.1285","0.133","","","","","","1.047","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117598","8.9615","0.0004","10.099","0.0005","23.368","0.0011","80.126","0.001","89.784","0.001","67.889","0.001","1926.01","0.16","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H51 Ge N -","- C49 H51 Ge N -","- C98 H102 Ge2 N2 -","2","1","","Zachary D. Brown; Petra Vasko; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","A Germanium Isocyanide Complex Featuring (n →π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C-H Bond Activation under Mild Conditions","Journal of the American Chemical Society","2012","134","","4045","4048","10.1021/ja211874u","","","0.71073","MoKα","","0.0453","0.0399","","","0.109","0.1126","","","","","","1.047","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117599","23.154","0.0012","14.5068","0.0007","21.9732","0.0011","90","","118.006","0.001","90","","6516.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H40 N4 O9 S -","- C31.5 H40 N4 O9 S -","- C252 H320 N32 O72 S8 -","8","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","0.71073","MoKα","","0.0619","0.0444","","","0.1108","0.1246","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117600","8.5613","0.0006","14.7639","0.001","20.8596","0.0014","90","","95.554","0.001","90","","2624.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N4 O9 S -","- C25 H32 N4 O9 S -","- C100 H128 N16 O36 S4 -","4","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","0.71073","MoKα","","0.0691","0.0494","","","0.1265","0.1405","","","","","","1.052","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117601","8.07","0.0006","17.2746","0.0013","20.2723","0.0016","96.16","0.004","90.466","0.005","90.301","0.004","2809.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N4 O9 S -","- C24 H30 N4 O9.5 S -","- C96 H120 N16 O38 S4 -","4","2","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","0.71073","MoKα","","0.0787","0.0553","","","0.153","0.1641","","","","","","1.057","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117602","8.6058","0.0002","10.5399","0.0002","12.7879","0.0003","83.815","0.001","84.729","0.001","67.359","0.001","1062.69","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N -","- C27 H29 N -","- C54 H58 N2 -","2","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","1.54178","CuKα","","0.0424","0.0404","","","0.1131","0.1154","","","","","","1.046","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117603","8.6491","0.0004","9.9416","0.0004","24.6891","0.0009","90","","90","","90","","2122.91","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N -","- C27 H29 N -","- C108 H116 N4 -","4","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","1.54178","CuKα","","0.0579","0.0456","","","0.1113","0.1176","","","","","","0.977","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117604","33.226","0.003","33.226","0.003","5.1868","0.001","90","","90","","90","","5726.1","1.3","153","2","153","2","","","","","","","","3","I -4","I -4","82","","","","- C38 H41 N6 -","- C35 H34 N6 -","- C280 H272 N48 -","8","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0533","0.0445","","","0.1177","0.1229","","","","","","1.075","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117605","15.214","0.0006","15.826","0.0007","17.815","0.0008","92.132","0.001","112.462","0.001","94.725","0.001","3939.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 Cl3 F6 N6 O4 -","- C40 H37 Cl3 F6 N6 O4 -","- C160 H148 Cl12 F24 N24 O16 -","4","2","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0795","0.0603","","","0.1634","0.1781","","","","","","1.04","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117606","11.111","0.0006","11.692","0.0006","15.214","0.0008","76.939","0.001","83.64","0.001","62.372","0.001","1705.75","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 N6 -","- C42 H50 N6 -","- C84 H100 N12 -","2","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0595","0.0458","","","0.1073","0.1137","","","","","","1.07","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117607","10.865","0.0006","11.485","0.0006","17.7","0.001","97.433","0.002","94.545","0.002","105.234","0.001","2098.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H52 F6 N6 O4 -","- C46 H52 F6 N6 O4 -","- C92 H104 F12 N12 O8 -","2","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.1058","0.0653","","","0.15","0.1696","","","","","","1.044","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117608","9.191","0.0005","9.997","0.0006","13.435","0.0008","78.043","0.002","76.403","0.002","69.467","0.002","1113.02","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H55 Cl6.98 N6 O0.34 -","- C44 H53.66 Cl6.98 N6 O0.34 -","- C44 H53.66 Cl6.98 N6 O0.34 -","1","0.5","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.0714","0.053","","","0.1187","0.1278","","","","","","1.071","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117609","12.63","0.0015","16.2","0.0019","12.83","0.0015","90","","105","0.003","90","","2535.6","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl3 N3 O3 S -","- C23 H30 Cl3 N3 O3 S -","- C92 H120 Cl12 N12 O12 S4 -","4","1","","Zhan Zhang; Jong Min Lim; Masatoshi Ishida; Vladimir V. Roznyatovskiy; Vincent M. Lynch; Han-Yuan Gong; Xiaoping Yang; Dongho Kim; Jonathan L. Sessler","Cyclo[m]pyridine[n]pyrroles: Hybrid Macrocycles That Display Expanded π-Conjugation upon Protonation","Journal of the American Chemical Society","2012","134","","4076","4079","10.1021/ja211985k","","","0.71075","MoKα","","0.052","0.0386","","","0.0907","0.0974","","","","","","1.046","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117610","9.7241","0.0008","14.7348","0.0012","18.8022","0.0015","90","","98.826","0.004","90","","2662.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B F15 N -","- C27 H21 B F15 N -","- C108 H84 B4 F60 N4 -","4","1","","Tayseer Mahdi; Zachariah M. Heiden; Stefan Grimme; Douglas W. Stephan","Metal-Free Aromatic Hydrogenation: Aniline to Cyclohexyl-amine Derivatives","Journal of the American Chemical Society","2012","134","","4088","4091","10.1021/ja300228a","","","0.71073","MoKα","","0.0591","0.0361","","","0.0792","0.0898","","","","","","1.007","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117611","12.6342","0.0006","18.1939","0.0008","12.8612","0.0006","90","","90.269","0.002","90","","2956.3","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 B F15 N -","- C30 H25 B F15 N -","- C120 H100 B4 F60 N4 -","4","1","","Tayseer Mahdi; Zachariah M. Heiden; Stefan Grimme; Douglas W. Stephan","Metal-Free Aromatic Hydrogenation: Aniline to Cyclohexyl-amine Derivatives","Journal of the American Chemical Society","2012","134","","4088","4091","10.1021/ja300228a","","","0.71073","MoKα","","0.0486","0.0352","","","0.0866","0.0947","","","","","","1.024","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117612","15.3873","0.0003","15.3873","0.0003","23.2288","0.0004","90","","90","","120","","4763.02","0.15","193","2","193","2","","","","","","","","3","P 32","P 32","145","","","","- C45 H36 O -","- C45 H36 O -","- C270 H216 O6 -","6","2","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0339","0.0326","","","0.0857","0.0865","","","","","","1.224","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117613","15.3425","0.0003","15.367","0.0003","23.8764","0.0004","72.5438","0.0007","81.2377","0.0007","60.1809","0.0008","4659.02","0.16","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C43 H30 Cl2 O -","- C43 H30 Cl2 O -","- C258 H180 Cl12 O6 -","6","6","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0499","0.0414","","","0.102","0.1162","","","","","","1.121","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117614","14.127","0.0003","15.3789","0.0003","17.9513","0.0003","90","","90","","90","","3900.06","0.13","193","2","193","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C57 H44 -","- C57 H44 -","- C228 H176 -","4","1","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0414","0.0402","","","0.1046","0.1067","","","","","","1.143","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117615","8.3652","0.0017","10.028","0.002","14.09","0.003","98.36","0.03","104.82","0.03","109.95","0.03","1038.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl6 N6 O2 S2 -","- C38 H40 Cl6 N6 O2 S2 -","- C38 H40 Cl6 N6 O2 S2 -","1","0.5","","Yali Qiao; Yunlong Guo; Chunmeng Yu; Fengjiao Zhang; Wei Xu; Yunqi Liu; Daoben Zhu","Diketopyrrolopyrrole-Containing Quinoidal Small Molecules for High-Performance, Air-Stable, and Solution-Processable n-Channel Organic Field-Effect Transistors","Journal of the American Chemical Society","2012","134","","4084","4087","10.1021/ja3003183","","","0.71073","MoKα","","0.0917","0.0757","","","0.1626","0.1738","","","","","","1.121","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117616","16.5507","0.0002","20.7091","0.0003","17.0698","0.0002","90","","114.425","0.0011","90","","5327.04","0.13","103","","103","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H84 Si10 -","- C40 H84 Si10 -","- C160 H336 Si40 -","4","0.5","","Tomohiro Agou; Yusuke Sugiyama; Takahiro Sasamori; Heisuke Sakai; Yukio Furukawa; Nozomi Takagi; Jing-Dong Guo; Shigeru Nagase; Daisuke Hashizume; Norihiro Tokitoh","Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes","Journal of the American Chemical Society","2012","134","","4120","4123","10.1021/ja300694p","","","0.71073","MoKα","","0.0329","0.0287","","","0.0785","0.0811","","","","","","1.043","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117617","9.4959","0.0001","12.1807","0.0001","13.4345","0.0002","63.754","0.0007","81.2453","0.0006","74.1312","0.0007","1339.72","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H86 Si10 -","- C40 H86 Si10 -","- C40 H86 Si10 -","1","0.5","","Tomohiro Agou; Yusuke Sugiyama; Takahiro Sasamori; Heisuke Sakai; Yukio Furukawa; Nozomi Takagi; Jing-Dong Guo; Shigeru Nagase; Daisuke Hashizume; Norihiro Tokitoh","Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes","Journal of the American Chemical Society","2012","134","","4120","4123","10.1021/ja300694p","","","0.71073","MoKα","","0.0429","0.035","","","0.1056","0.1114","","","","","","1.026","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117618","12.692","0.003","12.756","0.002","19.255","0.004","73.449","0.01","76.985","0.01","65.272","0.008","2694","1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H84 Si10 -","- C40 H84 Si10 -","- C80 H168 Si20 -","2","1","","Tomohiro Agou; Yusuke Sugiyama; Takahiro Sasamori; Heisuke Sakai; Yukio Furukawa; Nozomi Takagi; Jing-Dong Guo; Shigeru Nagase; Daisuke Hashizume; Norihiro Tokitoh","Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes","Journal of the American Chemical Society","2012","134","","4120","4123","10.1021/ja300694p","","","0.71075","MoKα","","0.0507","0.0434","","","0.1112","0.1205","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117619","12.622","0.003","5.2414","0.0014","22.052","0.006","90","","93.864","0.003","90","","1455.6","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N O15 S -","- C25 H37 N O15 S -","- C50 H74 N2 O30 S2 -","2","1","","Jessica R. Kramer; Timothy J. Deming","Glycopolypeptides with a Redox-Triggered Helix-to-Coil Transition","Journal of the American Chemical Society","2012","134","","4112","4115","10.1021/ja3007484","","","0.71073","MoKα","","0.0934","0.0659","","","0.168","0.1826","","","","","","1.07","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117620","6.9154","0.0002","6.9154","0.0002","8.1399","0.0004","90","","90","","120","","337.12","0.02","300","","300","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.028","0.0259","","0.0654","0.0619","0.0654","","","","","","0.8527","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117621","6.8904","0.0002","6.8904","0.0002","8.1649","0.0004","90","","90","","120","","335.71","0.02","250","","250","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0287","0.0267","","0.0694","0.0638","0.0694","","","","","","0.9169","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117622","6.866","0.0002","6.866","0.0002","8.1895","0.0004","90","","90","","120","","334.35","0.02","200","","200","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0257","0.0242","","0.0599","0.0583","0.0599","","","","","","0.8782","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117623","6.8431","0.0002","6.8431","0.0002","8.2137","0.0004","90","","90","","120","","333.1","0.02","150","","150","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0239","0.0237","","0.0598","0.057","0.0598","","","","","","0.9461","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117624","6.8214","0.0002","6.8214","0.0002","8.2353","0.0004","90","","90","","120","","331.86","0.02","100","","100","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0178","0.0178","","0.042","0.042","0.042","","","","","","0.9328","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117625","16.9929","0.0009","7.3879","0.0004","17.139","0.0009","90","","95.18","0.003","90","","2142.9","0.2","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","","Hsien-Chun Lo; Ruth Entwistle; Chun-Jun Guo; Manmeet Ahuja; Edyta Szewczyk; Jui-Hsiang Hung; Yi-Ming Chiang; Berl R. Oakley; Clay C. C. Wang","Two Separate Gene Clusters Encode the Biosynthetic Pathway for the Meroterpenoids Austinol and Dehydroaustinol in Aspergillus nidulans","Journal of the American Chemical Society","2012","134","","4709","4720","10.1021/ja209809t","","","0.71073","MoKα","","0.0407","0.0361","","","0.0561","0.0565","","","","","","1.977","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117626","13.2022","0.0002","7.6135","0.0001","31.0128","0.0005","90","","99.863","0.001","90","","3071.18","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 F6 Mg N2 O8 -","- C29 H24 F6 Mg N2 O8 -","- C116 H96 F24 Mg4 N8 O32 -","4","1","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.065","0.0464","","","0.1189","0.132","","","","","","1.035","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117627","7.3064","0.0002","32.6024","0.001","12.5442","0.0004","90","","90","","90","","2988.11","0.16","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C29 H24 F6 Mg N2 O8 -","- C29 H24 F6 Mg N2 O8 -","- C116 H96 F24 Mg4 N8 O32 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0548","0.046","","","0.1261","0.1329","","","","","","1.055","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117628","45.303","0.0008","10.6226","0.0002","8.8701","0.0002","90","","90.215","0.001","90","","4268.58","0.15","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H26 F12 Mg N2 O8 -","- C46 H26 F12 Mg N2 O8 -","- C184 H104 F48 Mg4 N8 O32 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0409","0.0352","","","0.0926","0.0969","","","","","","1.03","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117629","9.3105","0.0003","26.894","0.0008","11.2146","0.0003","90","","90","","90","","2808.1","0.14","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C29 H20 F6 Mg N2 O6 -","- C29 H20 F6 Mg N2 O6 -","- C116 H80 F24 Mg4 N8 O24 -","4","0.5","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0654","0.0634","","","0.143","0.1452","","","","","","1.16","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117630","20.9727","0.0005","9.3428","0.0002","27.9724","0.0006","90","","90","","90","","5481","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H18 F6 Mg N2 O5 -","- C29 H18 F6 Mg N2 O5 -","- C232 H144 F48 Mg8 N16 O40 -","8","1","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0425","0.0305","","","0.0724","0.0789","","","","","","1.052","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117631","8.5265","0.0008","15.0901","0.0014","18.2616","0.0017","90","","90","","90","","2349.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 N O2 P -","- C30 H24 N O2 P -","- C120 H96 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0542","0.0435","","","0.0888","0.0927","","","","","","0.974","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117632","8.819","0.002","15.267","0.004","9.468","0.002","90","","104.101","0.005","90","","1236.4","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N O2 P -","- C31 H26 N O2 P -","- C62 H52 N2 O4 P2 -","2","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0501","0.045","","","0.1034","0.1062","","","","","","1.003","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117633","8.2558","0.0007","13.4291","0.0011","19.6028","0.0015","90","","90","","90","","2173.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N O2 P -","- C26 H24 N O2 P -","- C104 H96 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0557","0.052","","","0.1466","0.1505","","","","","","1.044","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117634","16.03","0.003","18.438","0.004","8.0032","0.0016","90","","90","","90","","2365.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H28 N O2 P -","- C29 H28 N O2 P -","- C116 H112 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0579","0.049","","","0.1119","0.1159","","","","","","1.066","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117635","11.5909","0.0012","12.9494","0.0013","17.5333","0.0017","96.829","0.002","95.085","0.002","109.859","0.001","2434","0.4","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H59 Cl2 F3 Ir N O5 P S -","- C52 H59 Cl2 F3 Ir N O5 P S -","- C104 H118 Cl4 F6 Ir2 N2 O10 P2 S2 -","2","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0538","0.0418","","","0.1128","0.1213","","","","","","0.929","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117636","22.8013","0.0019","11.9886","0.001","17.5732","0.0015","90","","93.3","0.001","90","","4795.8","0.7","133","2","133","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H52 Cl2 F3 Ir N O5 P S -","- C55 H52 Cl2 F3 Ir N O5 P S -","- C220 H208 Cl8 F12 Ir4 N4 O20 P4 S4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.08","0.0383","","","0.0914","0.112","","","","","","1.011","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117637","11.25","0.002","20.725","0.004","21.178","0.004","90","","97.717","0.003","90","","4893.1","1.6","133","2","133","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C49.75 H52.5 Cl3.5 F6 Ir N O2 P Sb -","- C49.75 H48 Cl3.5 F6 Ir N O2 P Sb -","- C199 H192 Cl14 F24 Ir4 N4 O8 P4 Sb4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0865","0.0556","","","0.1454","0.1651","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117638","5.824","0.0006","12.8616","0.0012","20.943","0.002","90","","90","","90","","1568.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","07159a","","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C64 H80 Cl4 N4 O8 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","0.71073","MoKα","","0.0414","0.0335","","","0.0729","0.0765","","","","","","1.061","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117639","9.8098","0.0002","10.8229","0.0002","17.5387","0.0003","90","","90","","90","","1862.09","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C80 H72 N8 O16 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","1.54178","CuKα","","0.0328","0.0304","","","0.0796","0.0812","","","","","","1.074","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117640","8.9014","0.0002","11.7597","0.0002","17.7704","0.0004","90","","90","","90","","1860.17","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","1.54178","CuKα","","0.0259","0.0252","","","0.0662","0.0666","","","","","","1.045","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117641","7.7604","0.0013","9.8685","0.0017","18.125","0.003","90","","114.522","0.006","90","","1262.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 N8 O8 S4 -","- C52 H48 N8 O8 S4 -","- C52 H48 N8 O8 S4 -","1","0.25","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","0.71073","MoKα","","0.0443","0.036","","","0.0916","0.0966","","","","","","1.057","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117642","27.6862","0.0013","27.7671","0.0013","13.9934","0.0007","90","","90","","90","","10757.6","0.9","150","2","150","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C96 H66 Cu6 I12 N8 O18 -","- C96 H66 Cu6 I12 N8 O18 -","- C384 H264 Cu24 I48 N32 O72 -","4","1","","Zheng Yin; Qiang-Xin Wang; Ming-Hua Zeng","Iodine Release and Recovery, Influence of Polyiodide Anions on Electrical Conductivity and Nonlinear Optical Activity in an Interdigitated and Interpenetrated Bipillared-Bilayer Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","4857","4863","10.1021/ja211381e","","","0.71073","MoKα","","0.1077","0.103","","","0.2898","0.295","","","","","","1.236","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117643","37.1296","0.0008","36.288","0.0007","37.2869","0.0007","90","","92.074","0.002","90","","50205.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C216 H408 Ge24 N48 Se132 Sn36 -","- C189 H357 Ge24 N42 Se132 Sn36 -","- C756 H1428 Ge96 N168 Se528 Sn144 -","4","1","","Yumei Lin; Werner Massa; Stefanie Dehnen","""Zeoball"" [Sn36Ge24Se132]24-: A Molecular Anion with Zeolite-Related Composition and Spherical Shape","Journal of the American Chemical Society","2012","134","","4497","4500","10.1021/ja2115635","","","0.71073","MoKα","","0.1875","0.078","","","0.1449","0.1718","","","","","","0.911","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117644","24.3196","0.0011","24.4009","0.0009","26.7435","0.001","115.848","0.003","97.969","0.003","108.901","0.003","12761.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H360 Ge27.49 N48 Se132 Sn32.51 -","- C192 H360 Ge27.494 N48 Se132 Sn32.506 -","- C192 H360 Ge27.494 N48 Se132 Sn32.506 -","1","0.5","","Yumei Lin; Werner Massa; Stefanie Dehnen","""Zeoball"" [Sn36Ge24Se132]24-: A Molecular Anion with Zeolite-Related Composition and Spherical Shape","Journal of the American Chemical Society","2012","134","","4497","4500","10.1021/ja2115635","","","0.71073","MoKα","","0.2422","0.0636","","","0.0952","0.1254","","","","","","0.741","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117645","6.2741","0.001","6.2741","0.001","5.4944","0.0009","90","","90","","90","","216.28","0.06","295","2","295","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au3 Ge Sr -","- Au3 Ge Sr -","- Au6 Ge2 Sr2 -","2","0.125","","Qisheng Lin; John D Corbett","Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion","Journal of the American Chemical Society","2012","134","","4877","4884","10.1021/ja211625w","","","0.71073","MoKα","","0.0326","0.0277","","","0.056","0.0574","","","","","","1.128","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117646","6.2638","0.001","6.2638","0.001","5.5082","0.0009","90","","90","","90","","216.12","0.06","173","2","173","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au3 Ge Sr -","- Au3 Ge Sr -","- Au6 Ge2 Sr2 -","2","0.125","","Qisheng Lin; John D Corbett","Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion","Journal of the American Chemical Society","2012","134","","4877","4884","10.1021/ja211625w","","","0.71073","MoKα","","0.0284","0.0223","","","0.0499","0.0511","","","","","","1.223","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117647","6.249","0.0009","6.249","0.0009","5.5104","0.0008","90","","90","","90","","215.18","0.05","110","2","110","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Au3 Ge Sr -","- Au3 Ge Sr -","- Au6 Ge2 Sr2 -","2","0.125","","Qisheng Lin; John D Corbett","Formation of Nets of Corner-Shared Bicapped Gold Squares in SrAu3Ge: How a BaAl4- Type Derivative Reconciles Fewer Valence Electrons and the Origin of Its Uniaxial Negative Thermal Expansion","Journal of the American Chemical Society","2012","134","","4877","4884","10.1021/ja211625w","","","0.71073","MoKα","","0.0223","0.0214","","","0.0483","0.0485","","","","","","1.209","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117648","13.8677","0.0002","13.9904","0.0002","17.9662","0.0002","98.9897","0.0005","102.076","0.0005","94.9361","0.0006","3341.16","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H63 B F25 P2 Rh -","- C63 H63 B F25 P2 Rh -","- C126 H126 B2 F50 P4 Rh2 -","2","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0544","0.0416","","","0.1071","0.1134","","","","","","1.073","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117649","23.1637","0.0002","12.7303","0.0002","22.4993","0.0003","90","","113.821","0.0005","90","","6069.41","0.14","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H59 B F25 P2 Rh -","- C59 H59 B F25 P2 Rh -","- C236 H236 B4 F100 P8 Rh4 -","4","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0513","0.0388","","","0.0794","0.0851","","","","","","1.022","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117650","12.5024","0.0001","19.9855","0.0002","26.3918","0.0003","78.6713","0.0007","86.0042","0.0007","74.4807","0.0005","6229.18","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H57.5 B F25.5 P2 Rh -","- C58 H57.5 B F25.5 P2 Rh -","- C232 H230 B4 F102 P8 Rh4 -","4","2","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.1274","0.0705","","","0.169","0.1908","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117651","25.3048","0.0002","19.0247","0.0001","25.8306","0.0002","90","","90","","90","","12435.3","0.15","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C57 H58 B F24 O P2 Rh S -","- C57 H58 B F24 O P2 Rh S -","- C456 H464 B8 F192 O8 P16 Rh8 S8 -","8","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0628","0.0379","","","0.0899","0.1008","","","","","","1.019","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117652","20.6581","0.0001","15.8107","0.0001","21.9696","0.0002","90","","117.474","0.0003","90","","6366.43","0.08","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59 H61 B F24 N O P2 Rh S -","- C59 H61 B F24 N O P2 Rh S -","- C236 H244 B4 F96 N4 O4 P8 Rh4 S4 -","4","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0588","0.0417","","","0.1014","0.1109","","","","","","1.023","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117653","9.8396","0.0003","10.9979","0.0003","15.9861","0.0004","90","","97.7476","0.0012","90","","1714.14","0.08","150","2","150","2","","","","","","","","10","P 1 c 1","P -2yc","7","","","","- C28 H50 B Cl2 F3 N O P2 Rh S -","- C28 H50 B Cl2 F3 N O P2 Rh S -","- C56 H100 B2 Cl4 F6 N2 O2 P4 Rh2 S2 -","2","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0433","0.0377","","","0.0758","0.0787","","","","","","1.037","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117654","9.5692","0.0018","13.611","0.003","7.5604","0.0014","90","","92.24","0.003","90","","984","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 S2 Si2 -","- C18 H26 S2 Si2 -","- C36 H52 S4 Si4 -","2","0.5","","Rebekka S. Klausen; Jonathan R. Widawsky; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Conductive Molecular Silicon","Journal of the American Chemical Society","2012","134","","4541","4544","10.1021/ja211677q","","","0.71073","MoKα","","0.0481","0.0342","","","0.0929","0.1007","","","","","","1.026","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117655","12.5452","0.0009","7.8373","0.0006","14.285","0.001","90","","90.257","0.004","90","","1404.49","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 S2 Si4 -","- C22 H38 S2 Si4 -","- C44 H76 S4 Si8 -","2","0.5","","Rebekka S. Klausen; Jonathan R. Widawsky; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Conductive Molecular Silicon","Journal of the American Chemical Society","2012","134","","4541","4544","10.1021/ja211677q","","","1.54178","CuKα","","0.047","0.038","","","0.101","0.108","","","","","","1.05","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117656","10.2871","0.0002","11.244","0.0002","17.2488","0.0003","79.01","0.001","84.608","0.001","63.709","0.001","1755.84","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H54 O4 W -","- C39 H54 O4 W -","- C78 H108 O8 W2 -","2","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.03","0.0254","","","0.0537","0.0547","","","","","","1.06","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117657","11.2257","0.0012","18.63","0.002","14.8896","0.0016","90","","98.466","0.002","90","","3080","0.6","296","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 O3 W -","- C35 H46 O3 W -","- C140 H184 O12 W4 -","4","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.0491","0.0262","","","0.0494","0.0532","","","","","","0.912","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117658","16.6415","0.0008","11.6477","0.0005","18.3227","0.0009","90","","90","","90","","3551.6","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H52 O4 W -","- C39 H52 O4 W -","- C156 H208 O16 W4 -","4","1","","Soumya Sarkar; Kevin P. McGowan; Subramaniam Kuppuswamy; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","An OCO3-Trianionic Pincer Tungsten(VI) Alkylidyne: Rational Design of a Highly Active Alkyne Polymerization Catalyst","Journal of the American Chemical Society","2012","134","","4509","4512","10.1021/ja2117975","","","0.71073","MoKα","","0.0282","0.0218","","","0.0469","0.0485","","","","","","0.952","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117659","16.8753","0.0013","16.8753","0.0013","16.8753","0.0013","90","","90","","90","","4805.7","0.6","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H37 In3 N3 Nd O26 -","- C36 H30 In3 N3 Nd O25.99 -","- C144 H120 In12 N12 Nd4 O103.96 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0712","0.0531","","","0.1272","0.1406","","","","","","1.081","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117660","16.8845","0.0002","16.8845","0.0002","16.8845","0.0002","90","","90","","90","","4813.54","0.1","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C36 H37 In3 N3 O26 Sm -","- C36 H30 In3 N3 O26 Sm -","- C144 H120 In12 N12 O104 Sm4 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0449","0.036","","","0.0936","0.1074","","","","","","1.17","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117661","27.1319","0.0003","27.1319","0.0003","27.1319","0.0003","90","","90","","90","","19972.9","0.4","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H60 In3 N Nd2 O31 -","- C81 H45 In3 N0.99 Nd2 O28 -","- C324 H180 In12 N3.96 Nd8 O112 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0924","0.0772","","","0.2302","0.2525","","","","","","1.116","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117662","27.1344","0.0001","27.1344","0.0001","27.1344","0.0001","90","","90","","90","","19978.4","0.13","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H60 In3 N O31 Pr2 -","- C81 H45 In3 N0.99 O28 Pr2 -","- C324 H180 In12 N3.96 O112 Pr8 -","4","0.333333","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0597","0.0465","","","0.1193","0.1254","","","","","","0.938","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117663","21.9141","0.0009","21.9141","0.0009","21.9141","0.0009","90","","90","","90","","10523.8","0.7","296","2","296","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C30 H20 Co2 In N3 O13.5 -","- C30 H18 Co2.01 In0.99 N3 O13.5 -","- C240 H144 Co16.08 In7.92 N24 O108 -","8","0.166667","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0637","0.0571","","","0.1712","0.1829","","","","","","1.288","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117664","36.4998","0.0004","36.4998","0.0004","24.1865","0.0007","90","","90","","120","","27905.2","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H63 In2 Mn2 N3 O21 -","- C84 H38 In2 Mn2 N3 O21 -","- C756 H342 In18 Mn18 N27 O189 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.074","0.066","","","0.2029","0.2078","","","","","","1.063","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117665","36.3966","0.0005","36.3966","0.0005","23.9655","0.0006","90","","90","","120","","27494.1","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C81 H63 Co2 In2 N3 O21 -","- C81 H38 Co2 In2 N3 O21 -","- C729 H342 Co18 In18 N27 O189 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.1172","0.085","","","0.2504","0.27","","","","","","0.964","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117666","36.218","0.014","36.218","0.014","23.612","0.019","90","","90","","120","","26823","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H54 Cu2 In2 N0 O24 -","- C72 H38 Cu2 In2 O24 -","- C648 H342 Cu18 In18 O216 -","9","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.1656","0.0921","","","0.2285","0.2574","","","","","","0.857","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117667","32.2214","0.0003","32.2214","0.0003","92.442","0.002","90","","90","","120","","83117","2","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H58 In2 Mg2 N0 O26 -","- C72 H40 In2 Mg2 O26 -","- C1296 H720 In36 Mg36 O468 -","18","0.5","","Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu","Development of Composite Inorganic Building Blocks for MOFs","Journal of the American Chemical Society","2012","134","","4517","4520","10.1021/ja2118255","","","0.71073","MoKα","","0.0583","0.0433","","","0.122","0.1264","","","","","","0.993","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117668","13.2886","0.0013","13.9258","0.0014","18.2372","0.0017","76.405","0.005","77.74","0.005","65.596","0.004","2961.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","U(IV) Ph Ket","","- C63 H86 Li N5 O2 U -","- C63 H77 Li N5 O2 U -","- C126 H154 Li2 N10 O4 U2 -","2","1","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0511","0.0452","","","0.1081","0.1118","","","","","","1.116","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117669","13.8905","0.0004","14.6036","0.0004","25.8603","0.0007","90","","92.184","0.001","90","","5242","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","U(IV) tBu Ket","","- C49 H98 Li N5 O U -","- C49 H77 Li N5 O U -","- C196 H308 Li4 N20 O4 U4 -","4","1","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0658","0.0293","","","0.0771","0.0861","","","","","","0.979","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117670","20.967","0.003","19.715","0.003","23.47","0.003","90","","90.215","0.008","90","","9702","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","U(V) tBu Ket","","- C45 H90 N5 U -","- C45 H90 N5 U -","- C360 H720 N40 U8 -","8","2","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0784","0.041","","","0.0922","0.1057","","","","","","1.058","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117671","12.1214","0.0008","12.1214","0.0008","36.432","0.003","90","","90","","120","","4635.7","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","U(V) Ph Ket","","- C66 H84 Li N6 U -","- C66 H84 Li N6 U -","- C198 H252 Li3 N18 U3 -","3","0.166667","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0289","0.027","","","0.0524","0.0528","","","","","","1.071","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117672","14.2791","0.0016","11.9428","0.0014","19.064","0.002","90","","92.216","0.002","90","","3248.6","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","U(VI) Ph Ket","","- C73 H92 N6 U -","- C74 H94 N6 U -","- C148 H188 N12 U2 -","2","0.5","","Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton","Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex","Journal of the American Chemical Society","2012","134","","4931","4940","10.1021/ja211875s","","","0.71073","MoKα","","0.0622","0.0272","","","0.0626","0.0739","","","","","","0.98","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117673","9.8794","0.001","18.5005","0.0018","11.0075","0.001","90","","90","","90","","2011.9","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C27 H27 B -","- C27 H27 B -","- C108 H108 B4 -","4","0.5","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.0808","0.048","","","0.0696","0.0738","","","","","","1.096","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117674","27.583","0.007","9.566","0.002","12.031","0.003","90","","104.38","0.004","90","","3075","1.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H34 B2 Cl2 -","- C37 H34 B2 Cl2 -","- C148 H136 B8 Cl8 -","4","0.5","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.7107","MoKa","","0.0944","0.065","","","0.1667","0.1912","","","","","","1.084","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117675","12.223","0.002","9.4772","0.0016","15.291","0.003","90","","92.182","0.004","90","","1770","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 B O -","- C25 H21 B O -","- C100 H84 B4 O4 -","4","1","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.0741","0.0449","","","0.0801","0.0854","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117676","10.5692","0.0007","15.5985","0.0011","18.184","0.0012","90","","99.533","0.002","90","","2956.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 B F N3 S -","- C33 H45 B F N3 S -","- C132 H180 B4 F4 N12 S4 -","4","1","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.069","0.0433","","","0.0777","0.0823","","","","","","1.021","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117677","11.2973","0.0015","17.684","0.002","21.043","0.003","98.909","0.002","103.213","0.002","99.92","0.002","3948","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 B2 Cl2 F N3 S -","- C43 H54 B2 Cl2 F N3 S -","- C172 H216 B8 Cl8 F4 N12 S4 -","4","2","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.1012","0.057","","","0.1335","0.167","","","","","","1.007","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117678","10.6959","0.0009","14.8075","0.0013","15.5236","0.0013","85.815","0.002","84.448","0.002","84.235","0.002","2429.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H72 B2 Cl2 F2 N6 S2 -","- C49 H72 B2 Cl2 F2 N6 S2 -","- C98 H144 B4 Cl4 F4 N12 S4 -","2","1","","Zhiguo Zhou; Atsushi Wakamiya; Tomokatsu Kushida; Shigehiro Yamaguchi","Planarized Triarylboranes: Stabilization by Structural Constraint and Their Plane-to-Bowl Conversion","Journal of the American Chemical Society","2012","134","","4529","4532","10.1021/ja211944q","","","0.71073","MoKa","","0.1164","0.0748","","","0.1488","0.1696","","","","","","1.06","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117679","31.8437","0.0006","6.5733","0.0001","25.9326","0.0005","90","","126.952","0.001","90","","4337.86","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H60 N2 O16 S6 -","- C35 H60 N2 O16 S6 -","- C140 H240 N8 O64 S24 -","4","0.5","","Matthew K. Kiesewetter; Björn Corzilius; Albert A. Smith; Robert G. Griffin; Timothy M. Swager","Dynamic Nuclear Polarization with a Water-Soluble Rigid Biradical","Journal of the American Chemical Society","2012","134","","4537","4540","10.1021/ja212054e","","","1.54178","CuKα","","0.0696","0.0597","","","0.1587","0.1682","","","","","","1.066","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117680","13.673","0.003","14.561","0.003","24.254","0.005","90","","90","","90","","4828.8","1.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 B2 N2 O4 -","- C21 H34 B2 N2 O4 -","- C168 H272 B16 N16 O32 -","8","1","","Abel Ros; Rocío López-Rodríguez; Beatriz Estepa; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Hydrazone as the directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations","Journal of the American Chemical Society","2012","134","","4573","4576","10.1021/ja300308c","","","0.71073","MoKα","","0.1055","0.0779","","","0.1682","0.2022","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117681","9.2419","0.0005","9.6877","0.0006","10.6092","0.0006","78.236","0.001","85.088","0.001","68.282","0.0009","863.86","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 B N2 O3 -","- C16 H25 B N2 O3 -","- C32 H50 B2 N4 O6 -","2","1","","Abel Ros; Rocío López-Rodríguez; Beatriz Estepa; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Hydrazone as the directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations","Journal of the American Chemical Society","2012","134","","4573","4576","10.1021/ja300308c","","","0.71073","MoKα","","0.0616","0.0516","","","0.1384","0.1487","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117682","11.539","0.003","16.475","0.004","16.765","0.004","90","","90","","90","","3187.1","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl Co N3 O -","- C33 H49 Cl Co N3 O -","- C132 H196 Cl4 Co4 N12 O4 -","4","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0215","0.0202","","","0.0552","0.0557","","","","","","1.341","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117683","11.5067","0.0009","16.4629","0.0012","16.701","0.0012","90","","90","","90","","3163.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl Co N3 O -","- C33 H49 Cl Co N3 O -","- C132 H196 Cl4 Co4 N12 O4 -","4","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.021","0.0195","","","0.048","0.0486","","","","","","0.939","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117684","9.9551","0.0015","23.702","0.004","11.8587","0.0018","90","","103.765","0.002","90","","2717.8","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H44 Co N3 -","- C30 H44 Co N3 -","- C120 H176 Co4 N12 -","4","2","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0731","0.0678","","","0.1735","0.1792","","","","","","1.105","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117685","12.359","0.002","8.3869","0.0014","12.548","0.002","90","","91.336","0.003","90","","1300.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Co N3 -","- C29 H40 Co N3 -","- C58 H80 Co2 N6 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0438","0.0377","","","0.0936","0.1112","","","","","","1.115","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117686","12.3772","0.0004","8.3551","0.0003","12.5191","0.0004","90","","91.313","0.002","90","","1294.29","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H40 Co N3 -","- C29 H40 Co N3 -","- C58 H80 Co2 N6 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","1.54178","CuKα","","0.08","0.0752","","","0.2119","0.2178","","","","","","1.093","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117687","9.611","0.002","12.746","0.003","24.056","0.006","90","","95.094","0.003","90","","2935.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 Cl Co N3 -","- C27 H39 Cl Co N3 -","- C108 H156 Cl4 Co4 N12 -","4","2","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0634","0.0438","","","0.0802","0.0852","","","","","","0.973","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117688","10.029","0.0009","19.6508","0.0018","19.1243","0.0017","90","","92.985","0.002","90","","3763.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C81.03 H114.1 Co3 N9 -","- C81.032 H114.096 Co3 N9 -","- C162.064 H228.192 Co6 N18 -","2","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0571","0.0442","","","0.0996","0.1054","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117689","10.33","0.003","13.013","0.003","16.873","0.007","93.66","0.02","97.33","0.02","103.26","0.02","2179.4","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H55 Cl4 Ge2 N3 -","- C43.5 H55 Cl4 Ge2 N3 -","- C87 H110 Cl8 Ge4 N6 -","2","1","","Amit Pratap Singh; Herbert W. Roesky; Elena Carl; Dietmar Stalke; Jean-Philippe Demers; Adam Lange","Lewis Base Mediated Autoionization of GeCl2 and SnCl2","Journal of the American Chemical Society","2012","134","","4998","5003","10.1021/ja300563g","","","0.71073","MoKα","","0.0332","0.0253","","","0.055","0.0569","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117690","10.438","0.002","13.174","0.002","16.908","0.004","92.68","0.02","99.08","0.02","103.21","0.02","2226.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H55 Cl4 N3 Sn2 -","- C43.5 H55 Cl4 N3 Sn2 -","- C87 H110 Cl8 N6 Sn4 -","2","1","","Amit Pratap Singh; Herbert W. Roesky; Elena Carl; Dietmar Stalke; Jean-Philippe Demers; Adam Lange","Lewis Base Mediated Autoionization of GeCl2 and SnCl2","Journal of the American Chemical Society","2012","134","","4998","5003","10.1021/ja300563g","","","0.56085","AgKα","","0.0458","0.0306","","","0.064","0.0686","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117691","11.8764","0.0001","14.0585","0.0002","12.2947","0.0001","90","","104.283","0.0007","90","","1989.32","0.04","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.71073","MoKα","","0.0444","0.0435","","","0.1181","0.1203","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117692","11.874","0.0001","14.052","0.0001","12.293","0.0001","90","","104.246","0.0003","90","","1988.05","0.03","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0428","0.038","","","0.1138","0.1172","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117693","11.878","0.0001","14.057","0.0001","12.295","0.0001","90","","104.267","0.0003","90","","1989.57","0.03","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0438","0.039","","","0.1159","0.1196","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117694","12.389","0.0001","7.958","0.0001","17.516","0.0001","90","","101.222","0.0004","90","","1693.91","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N O4 -","- C20 H16 Cl N O4 -","- C80 H64 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0378","0.0363","","","0.1115","0.113","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117695","12.394","0.0001","7.962","0.0001","17.524","0.0001","90","","101.191","0.0005","90","","1696.41","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N O4 -","- C20 H16 Cl N O4 -","- C80 H64 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.6889","synchrotron","","0.0398","0.0381","","","0.116","0.118","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117696","11.874","0.0001","14.0576","0.0002","12.2949","0.0001","90","","104.285","0.0007","90","","1988.81","0.04","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Manabu Hoshino; Hidehiro Uekusa; Ayana Tomita; Shin-ya Koshihara; Tokushi Sato; Shunsuke Nozawa; Shin-ichi Adachi; Kei Ohkubo; Hiroaki Kotani; Shunichi Fukuzumi","Determination of the Structural Features of a Long-Lived Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion","Journal of the American Chemical Society","2012","134","","4569","4572","10.1021/ja300602h","","x-ray","0.71073","MoKα","","0.0441","0.0432","","","0.1176","0.1194","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117697","23.58","0.001","18.0061","0.0007","24.9071","0.001","90","","102.965","0.002","90","","10305.6","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H99 F12 Fe2 N27 O12 S4 -","- C90 H72 Fe2 N18 -","- C360 H288 Fe8 N72 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.2304","0.1318","","","0.3254","0.3715","","","","","","0.939","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117698","19.6303","0.0012","32.402","0.002","30.421","0.0017","90","","95.494","0.002","90","","19261","2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C206 H189 F24 Fe4 N55 O24 S8 -","- C144 H108 Fe4 N28 -","- C576 H432 Fe16 N112 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.1965","0.119","","","0.293","0.3281","","","","","","0.899","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117699","34.078","0.007","31.506","0.006","20.33","0.004","90","","104.03","0.03","90","","21176","8","180","2","180","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C178 H177 F48 Fe4 N29 O9 P8 -","- C148 H112 F30 Fe4 N24 O4 P5 -","- C592 H448 F120 Fe16 N96 O16 P20 -","4","1","","Rana A. Bilbeisi; Jack K. Clegg; Noémie Elgrishi; Xavier de Hatten; Marc Devillard; Boris Breiner; Prasenjit Mal; Jonathan R. Nitschke","Subcomponent Self-Assembly and Guest-Binding Properties of Face-Capped Fe4L48+ Capsules","Journal of the American Chemical Society","2012","134","","5110","5119","10.1021/ja2092272","","","0.71073","MoKα","","0.1211","0.1078","","","0.2635","0.2733","","","","","","1.402","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4117700","8.0466","0.0016","12.206","0.002","20.981","0.004","90.99","0.03","90.14","0.03","90.43","0.03","2060.3","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cl20 La14 Ru5 -","- Cl20 La14 Ru5 -","- Cl40 La28 Ru10 -","2","1","","Chong Zheng; Jürgen Köhler; Hansjürgen Mattausch; Constantin Hoch; Arndt Simon","A Five-Membered Ru5 Ring in a Hexagonal La14 Cage: The La14Cl20Ru5 Structure","Journal of the American Chemical Society","2012","134","","5026","5028","10.1021/ja210846d","","","0.56086","AgKα","","0.1156","0.0771","","","0.1792","0.1995","","","","","","1.081","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117701","14.9441","0.001","22.035","0.0015","22.0108","0.0014","90","","90","","90","","7248","0.8","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C68 H44 F12 Mo2 N13 O14 S4 -","- C68 H44 F12 Mo2 N13 O14 S4 -","- C272 H176 F48 Mo8 N52 O56 S16 -","4","0.5","","Eric J. Sundstrom; Xinzheng Yang; V. Sara Thoi; Hemamala I. Karunadasa; Christopher J. Chang; Jeffrey R. Long; Martin Head-Gordon","Computational and Experimental Study of the Mechanism of Hydrogen Generation from Water by a Molecular Molybdenum-Oxo Electrocatalyst","Journal of the American Chemical Society","2012","134","","5233","5242","10.1021/ja210949r","","","1.54178","CuKα","","0.0306","0.0299","","","0.082","0.0825","","","","","","1.273","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117702","12.4356","0.0006","15.7501","0.0008","20.2185","0.001","90","","90.681","0.002","90","","3959.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H50 F12 Mo2 N16 O12 S4 -","- C73 H50 F12 Mo2 N16 O12 S4 -","- C146 H100 F24 Mo4 N32 O24 S8 -","2","0.5","","Eric J. Sundstrom; Xinzheng Yang; V. Sara Thoi; Hemamala I. Karunadasa; Christopher J. Chang; Jeffrey R. Long; Martin Head-Gordon","Computational and Experimental Study of the Mechanism of Hydrogen Generation from Water by a Molecular Molybdenum-Oxo Electrocatalyst","Journal of the American Chemical Society","2012","134","","5233","5242","10.1021/ja210949r","","","1.54178","CuKα","","0.0816","0.0794","","","0.3049","0.3253","","","","","","2.139","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117703","6.2746","0.0007","11.2697","0.0013","21.763","0.003","90","","90","","90","","1538.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","","Nadeem S. Sheikh; Daniele Leonori; Graeme Barker; James D. Firth; Kevin R. Campos; Anthony J. H. M. Meijer; Peter O'Brien; Iain Coldham","An Experimental and in Situ IR Spectroscopic Study of the Lithiation-Substitution of N-Boc-2-phenylpyrrolidine and -piperidine: Controlling the Formation of Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","5300","5308","10.1021/ja211398b","","","0.71073","MoKα","","0.1125","0.0643","","","0.1309","0.1828","","","","","","1.259","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117704","9.577","0.0005","9.8305","0.0005","19.7127","0.001","87.226","0.003","89.257","0.003","68.802","0.003","1728.26","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","PhDPBPhNiBr","","","- C42 H33 B Br Ni P2 -","- C42 H33 B Br Ni P2 -","- C84 H66 B2 Br2 Ni2 P4 -","2","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0517","0.038","","","0.0945","0.099","","","","","","1.124","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117705","23.7152","0.0011","11.0648","0.0005","18.3257","0.0008","90","","129.973","0.002","90","","3685.2","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","PhDPBPhNiTHF","","","- C46 H41 B Ni O P2 -","- C46 H41 B Ni O P2 -","- C184 H164 B4 Ni4 O4 P8 -","4","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0548","0.0408","","","0.0895","0.0958","","","","","","1.034","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117706","12.4313","0.001","14.519","0.001","20.8242","0.0014","90","","102.722","0.002","90","","3666.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MesDPBPhNiBr","","","- C45 H39 B Br Ni P2 -","- C45 H39 B Br Ni P2 -","- C180 H156 B4 Br4 Ni4 P8 -","4","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0616","0.035","","","0.0809","0.09","","","","","","1.015","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117707","9.9796","0.0005","13.1425","0.0007","14.6968","0.0007","73.94","0.003","87.331","0.003","69.709","0.003","1734.8","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MesDPBPhNi","","","- C45 H39 B Ni P2 -","- C45 H39 B Ni P2 -","- C90 H78 B2 Ni2 P4 -","2","1","","W. Hill Harman; Jonas C. Peters","Reversible H2 Addition across a Nickel-Borane Unit as a Promising Strategy for Catalysis","Journal of the American Chemical Society","2012","134","","5080","5082","10.1021/ja211419t","","","0.71073","MoKα","","0.0454","0.0304","","","0.0829","0.0867","","","","","","0.982","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117708","23.19","0.005","38.864","0.008","18.569","0.004","90","","122.8","0.03","90","","14067","7","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H99 F6 N3 O4 Sb U -","- C72 H99 F6 N3 O4 Sb U -","- C576 H792 F48 N24 O32 Sb8 U8 -","8","2","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.069","0.0422","","","0.0889","0.0984","","","","","","1.083","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117709","16.5625","0.0002","15.0709","0.0002","23.2583","0.0004","90","","96.952","0.001","90","","5762.86","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 F3 N3 O8 U -","- C57 H88 F3 N3 O8 U -","- C228 H352 F12 N12 O32 U4 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0335","0.023","","","0.0476","0.0509","","","","","","1.008","","","","has coordinates","194045","2020-10-21","18:00:00",""
"4117710","23.159","0.003","38.802","0.005","18.622","0.002","90","","123.063","0.002","90","","14024","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C144 H198 F12 N6 O8 Sb2 U2 -","- C144 H198 F12 N6 O8 Sb2 U2 -","- C576 H792 F48 N24 O32 Sb8 U8 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0954","0.0492","","","0.1006","0.1171","","","","","","1.05","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117711","16.709","0.002","24.792","0.002","21.212","0.003","90","","124.05","0.01","90","","7280.5","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H112 F N3 O3 U -","- C83 H112 F N3 O3 U -","- C332 H448 F4 N12 O12 U4 -","4","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.0672","0.0382","","","0.0759","0.0831","","","","","","1.197","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117712","39.095","0.0013","19.6845","0.0007","24.6987","0.0008","90","","127.878","0.001","90","","15002.8","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H118 F3 N3 O5 U -","- C84 H118 F3 N3 O5 U -","- C672 H944 F24 N24 O40 U8 -","8","1","","Boris Kosog; Henry S. La Pierre; Frank W. Heinemann; Stephen T. Liddle; Karsten Meyer","Synthesis of Uranium(VI) Terminal Oxo Complexes: Molecular Geometry Driven by the Inverse Trans-Influence","Journal of the American Chemical Society","2012","134","","5284","5289","10.1021/ja211618v","","","0.71073","MoKα","","0.067","0.0404","","","0.0948","0.104","","","","","","1.161","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00",""
"4117713","25.3572","0.001","14.9526","0.0006","20.5748","0.0008","90","","97.439","0.003","90","","7735.4","0.5","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C2(13)-C84.NiOEP.2toluene","","","- C134 H60 N4 Ni Sm -","- C134.074 H60 N4 Ni Sm1.02 -","- C536.295 H240 N16 Ni4 Sm4.08 -","4","0.5","","Hua Yang; Meilan Yu; Hongxiao Jin; Ziyang Liu; Mingguang Yao; Bingbing Liu; Marilyn M. Olmstead; Alan L. Balch","Isolation of Three Isomers of Sm@C84 and X-ray Crystallographic Characterization of Sm@D3d(19)-C84 and Sm@C2(13)-C84","Journal of the American Chemical Society","2012","134","","5331","5338","10.1021/ja211785u","","","0.71073","MoKα","","0.0808","0.0662","","","0.1663","0.1787","","","","","","1.022","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117714","25.3389","0.0015","14.8092","0.0009","20.926","0.0013","90","","97.589","0.0008","90","","7783.7","0.8","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@D3d(19)-C84.NiOEP.2toluene","","","- C134 H60 N4 Ni Sm -","- C132.2 H57.5 N4 Ni Sm -","- C528.8 H230 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Meilan Yu; Hongxiao Jin; Ziyang Liu; Mingguang Yao; Bingbing Liu; Marilyn M. Olmstead; Alan L. Balch","Isolation of Three Isomers of Sm@C84 and X-ray Crystallographic Characterization of Sm@D3d(19)-C84 and Sm@C2(13)-C84","Journal of the American Chemical Society","2012","134","","5331","5338","10.1021/ja211785u","","","0.71073","MoKα","","0.0849","0.0746","","","0.1526","0.1566","","","","","","1.237","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117715","9.627","0.003","11.363","0.004","16.729","0.006","91.016","0.016","93.314","0.014","95.991","0.013","1816.5","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","2","","André P. Dieskau; Michael S. Holzwarth; Bernd Plietker","Fe-Catalyzed Allylic C-C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions","Journal of the American Chemical Society","2012","134","","5048","5051","10.1021/ja300294a","","","0.71073","MoKα","","0.1294","0.0543","","","0.063","0.0711","","","","","","1.008","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117716","7.2726","0.0008","10.6519","0.0011","13.3896","0.0014","107.615","0.004","105.684","0.005","93.567","0.005","940.01","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N3 O2 S -","- C21 H19 N3 O2 S -","- C42 H38 N6 O4 S2 -","2","1","","André P. Dieskau; Michael S. Holzwarth; Bernd Plietker","Fe-Catalyzed Allylic C-C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions","Journal of the American Chemical Society","2012","134","","5048","5051","10.1021/ja300294a","","","0.71073","MoKα","","0.0539","0.0335","","","0.0778","0.0845","","","","","","1.035","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117717","27.215","0.003","9.5265","0.0009","15.1182","0.0013","90","","106.753","0.003","90","","3753.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N3 O2 S -","- C22 H17 N3 O2 S -","- C176 H136 N24 O16 S8 -","8","1","","André P. Dieskau; Michael S. Holzwarth; Bernd Plietker","Fe-Catalyzed Allylic C-C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions","Journal of the American Chemical Society","2012","134","","5048","5051","10.1021/ja300294a","","","0.71073","MoKα","","0.0588","0.0366","","","0.0822","0.0883","","","","","","1.031","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117718","12.679","0.003","15.506","0.003","16.46","0.006","90","","123.4","0.02","90","","2701.6","1.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 N3 -","- C31 H41 N3 -","- C124 H164 N12 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0959","0.0681","","","0.1789","0.2084","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117719","8.654","0.0005","26.8867","0.0014","12.64","0.0006","90","","115.843","0.003","90","","2646.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl N3 P -","- C28 H33 Cl N3 P -","- C112 H132 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0758","0.0422","","","0.0905","0.1035","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117720","15.829","0.003","11.199","0.002","24.175","0.008","90","","125.42","0.02","90","","3492.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl N3 P -","- C37 H51 Cl N3 P -","- C148 H204 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0932","0.055","","","0.1306","0.1687","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117721","20.468","0.002","9.2821","0.001","15.5195","0.0018","90","","92.061","0.004","90","","2946.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl N3 P -","- C31 H39 Cl N3 P -","- C124 H156 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1444","0.0894","","","0.2128","0.2347","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117722","10.744","0.002","15.331","0.003","22.699","0.006","90","","118.03","0.02","90","","3300.3","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 Cl N3 P -","- C34 H45 Cl N3 P -","- C136 H180 Cl4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0569","0.0371","","","0.0962","0.1026","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117723","8.6103","0.0017","14.299","0.003","21.572","0.004","90","","91.13","0.03","90","","2655.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Br N3 P -","- C28 H33 Br N3 P -","- C112 H132 Br4 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0783","0.0533","","","0.1424","0.1645","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117724","14.544","0.003","13.657","0.003","17.327","0.007","90","","119.39","0.02","90","","2998.7","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Al Cl4 N3 P -","- C28 H33 Al Cl4 N3 P -","- C112 H132 Al4 Cl16 N12 P4 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.0957","0.0557","","","0.1535","0.1887","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117725","15.278","0.003","21.301","0.004","21.126","0.007","90","","133.195","0.017","90","","5012","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N6 P2 -","- C56 H66 N6 P2 -","- C224 H264 N24 P8 -","4","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1388","0.0788","","","0.1766","0.23","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117726","7.5319","0.0015","15.796","0.003","8.8077","0.0018","90","","109.64","0.03","90","","986.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl2 N2 P2 -","- C18 H22 Cl2 N2 P2 -","- C36 H44 Cl4 N4 P4 -","2","1","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1302","0.0642","","","0.1078","0.1312","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117727","11.562","0.002","13.418","0.003","14.712","0.003","65.35","0.03","78.17","0.03","88.2","0.03","2026.6","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H94 Cl6 N10 P4 -","- C79 H94 Cl6 N10 P4 -","- C79 H94 Cl6 N10 P4 -","1","0.5","","Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna","Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands","Journal of the American Chemical Society","2012","134","","5398","5414","10.1021/ja300587z","","","0.71073","MoKα","","0.1237","0.0606","","","0.1461","0.1846","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117728","9.8884","0.0002","12.4534","0.0003","14.2131","0.0003","91.4581","0.0015","102.372","0.0015","112.572","0.0014","1567.36","0.06","93.1","","93","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H14 F N O2 S -","- C19 H14 F N O2 S -","- C76 H56 F4 N4 O8 S4 -","4","4","","Takahiro Nishimura; Akira Noishiki; Gavin Chit Tsui; Tamio Hayashi","Asymmetric Synthesis of (Triaryl)methylamines by Rhodium-Catalyzed Addition of Arylboroxines to Cyclic N-Sulfonyl Ketimines","Journal of the American Chemical Society","2012","134","","5056","5059","10.1021/ja300697c","","","1.54187","CuKα","","","0.0464","","","","0.1447","","","","","","1.144","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117729","11.677","0.003","22.21","0.005","16.123","0.004","90","","100.869","0.003","90","","4106.4","1.7","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 Fe N2 O P2 -","- C44 H59 Fe N2 O P2 -","- C176 H236 Fe4 N8 O4 P8 -","4","1","","R. Tom Baker; John C. Gordon; Charles W. Hamilton; Neil J. Henson; Po-Heng Lin; Steven Maguire; Muralee Murugesu; Brian L. Scott; Nathan C. Smythe","Iron Complex-Catalyzed Ammonia-Borane Dehydrogenation. A Potential Route toward B-N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts","Journal of the American Chemical Society","2012","134","","5598","5609","10.1021/ja210542r","","","0.71073","MoKα","","0.1686","0.0778","","","0.1806","0.2198","","","","","","1.089","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117730","11.443","0.013","20.06","0.02","16.304","0.019","90","","99.697","0.019","90","","3689","7","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 Fe N2 P2 -","- C40 H62 Fe N2 P2 -","- C160 H248 Fe4 N8 P8 -","4","1","","R. Tom Baker; John C. Gordon; Charles W. Hamilton; Neil J. Henson; Po-Heng Lin; Steven Maguire; Muralee Murugesu; Brian L. Scott; Nathan C. Smythe","Iron Complex-Catalyzed Ammonia-Borane Dehydrogenation. A Potential Route toward B-N-Containing Polymer Motifs Using Earth-Abundant Metal Catalysts","Journal of the American Chemical Society","2012","134","","5598","5609","10.1021/ja210542r","","","0.71073","MoKα","","0.2205","0.0734","","","0.1284","0.1841","","","","","","0.941","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117731","17.914","0.006","7.661","0.003","6.6577","0.0019","90","","98.885","0.007","90","","902.7","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C52 H32 O4 -","2","0.5","","Chikahiko Mitsui; Junshi Soeda; Kazumoto Miwa; Hayato Tsuji; Jun Takeya; Eiichi Nakamura","Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for Solution-Processed Single-Crystal Organic Field-Effect Transistors with High Hole Mobility","Journal of the American Chemical Society","2012","134","","5448","5451","10.1021/ja2120635","","","0.71075","MoKα","","","0.0811","","","","0.2775","","","","","","0.923","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117732","13.2305","0.0017","5.5995","0.0006","23.802","0.003","90","","97.887","0.007","90","","1746.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C42 H48 O2 -","- C42 H48 O2 -","- C84 H96 O4 -","2","0.5","","Chikahiko Mitsui; Junshi Soeda; Kazumoto Miwa; Hayato Tsuji; Jun Takeya; Eiichi Nakamura","Naphtho[2,1-b:6,5-b']difuran: A Versatile Motif Available for Solution-Processed Single-Crystal Organic Field-Effect Transistors with High Hole Mobility","Journal of the American Chemical Society","2012","134","","5448","5451","10.1021/ja2120635","","","0.99622","","","0.2014","0.0536","","","0.1291","0.1458","","","","","","0.522","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117733","10.0304","0.0002","32.0673","0.0006","17.1467","0.0003","90","","97.68","0.002","90","","5465.73","0.18","100.9","","374.05","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 B Cl Fe N8 O -","- C62 H61 B Cl Fe N8 O -","- C248 H244 B4 Cl4 Fe4 N32 O4 -","4","1","","Michael M. Bittner; Sergey V. Lindeman; Adam T. Fiedler","A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases","Journal of the American Chemical Society","2012","134","","5460","5463","10.1021/ja212163t","","","0.7107","MoKα","","0.0519","0.0413","","","0.0989","0.1068","","","","","","1.035","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117734","14.9365","0.0006","9.9321","0.0005","37.6317","0.0014","90","","92.617","0.004","90","","5576.9","0.4","100.6","","100.6","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.77 H56.15 B Cl2.39 Fe N7 O -","- C60.7718 H56.1496 B Cl2.3866 Fe N7 O -","- C243.087 H224.598 B4 Cl9.5464 Fe4 N28 O4 -","4","1","","Michael M. Bittner; Sergey V. Lindeman; Adam T. Fiedler","A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases","Journal of the American Chemical Society","2012","134","","5460","5463","10.1021/ja212163t","","","1.5418","CuKα","","0.0643","0.0512","","","0.1279","0.1382","","","","","","1.029","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117735","39.237","0.0012","13.8346","0.0004","20.7143","0.0005","90","","97.218","0.003","90","","11155.2","0.5","101.1","","101.1","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H57 B Cl F6 Fe N7 O Sb -","- C60 H57 B Cl F6 Fe N7 O Sb -","- C480 H456 B8 Cl8 F48 Fe8 N56 O8 Sb8 -","8","2","","Michael M. Bittner; Sergey V. Lindeman; Adam T. Fiedler","A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases","Journal of the American Chemical Society","2012","134","","5460","5463","10.1021/ja212163t","","","1.5418","CuKα","","0.1115","0.0831","","","0.2089","0.2331","","","","","","1.026","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117736","9.3928","0.0013","9.3928","0.0013","51.008","0.0013","90","","90","","120","","3897.3","0.8","100.1","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C20 H30 Cr Mn N O14 -","- C19.99 Cr Mn N O14.01 -","- C119.94 Cr6 Mn6 N6 O84.06 -","6","0.333333","","Masaaki Sadakiyo; Hisashi Ōkawa; Akihito Shigematsu; Masaaki Ohba; Teppei Yamada; Hiroshi Kitagawa","Promotion of Low-Humidity Proton Conduction by Controlling Hydrophilicity in Layered Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","5472","5475","10.1021/ja300122r","","","0.71073","MoKα","","","0.0519","","","","0.1344","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117737","19.1875","0.001","9.6032","0.0005","17.5086","0.0009","90","","93.098","0.003","90","","3221.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34.96 H48 Cl0.04 Ni O0.96 P2 -","- C34.964 H48 Cl0.036 Ni O0.964 P2 -","- C139.856 H192 Cl0.144 Ni4 O3.856 P8 -","4","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0334","0.0259","","","0.0427","0.0429","","","","","","1.711","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117738","10.6162","0.0004","19.6007","0.0008","15.6192","0.0006","90","","103.887","0.002","90","","3155.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 N Ni O P2 -","- C33 H47 N Ni O P2 -","- C132 H188 N4 Ni4 O4 P8 -","4","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0934","0.0489","","","0.0501","0.0514","","","","","","1.604","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117739","9.0551","0.0006","17.5696","0.0012","11.5133","0.0008","90","","102.374","0.003","90","","1789.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 I N Ni O P2 -","- C36 H54 I N Ni O P2 -","- C72 H108 I2 N2 Ni2 O2 P4 -","2","1","","Paul Kelley; Sibo Lin; Guy Edouard; Michael W. Day; Theodor Agapie","Nickel-Mediated Hydrogenolysis of C-O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?","Journal of the American Chemical Society","2012","134","","5480","5483","10.1021/ja300326t","","","0.71073","MoKα","","0.0312","0.0266","","","0.0483","0.0488","","","","","","1.924","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117740","11.4755","0.0011","4.6745","0.0005","12.6976","0.0013","90","","100.463","0.002","90","","669.8","0.12","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 B N3 -","- C4 H10 B N3 -","- C16 H40 B4 N12 -","4","1","","Xiangcheng Pan; Emmanuel Lacôte; Jacques Lalevée; Dennis P. Curran","Polarity Reversal Catalysis in Radical Reductions of Halides by N-Heterocyclic Carbene Boranes","Journal of the American Chemical Society","2012","134","","5669","5674","10.1021/ja300416f","","","0.71073","MoKα","","0.1035","0.0571","","","0.1412","0.1626","","","","","","1.037","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117741","12.4388","0.0012","15.4493","0.0015","15.9632","0.0015","94.969","0.002","107.717","0.002","113.463","0.002","2603.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H154 Al2 N4 O6 -","- C118 H154 Al2 N4 O6 -","- C118 H154 Al2 N4 O6 -","1","0.5","","Guang-Peng Wu; Wei-Min Ren; Yi Luo; Bo Li; Wen-Zhen Zhang; Xiao-Bing Lu","Enhanced Asymmetric Induction for the Copolymerization of CO2 and Cyclohexene Oxide with Unsymmetric Enantiopure SalenCo(III) Complexes: Synthesis of Crystalline CO2-Based Polycarbonate","Journal of the American Chemical Society","2012","134","","5682","5688","10.1021/ja300667y","","","0.71073","MoKα","","0.1448","0.0859","","","0.2226","0.2687","","","","","","1.033","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117742","8.8983","0.0008","11.7819","0.001","13.7805","0.0012","73.889","0.002","79.976","0.002","79.465","0.002","1352.9","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H44 F6 Fe N4 O2 Sb -","- C66 H44 F6 Fe N4 O2 Sb -","- C66 H44 F6 Fe N4 O2 Sb -","1","0.5","","Kyohei Fujiwara; Takuya Kurahashi; Seijiro Matsubara","Cationic Iron(III) Porphyrin-Catalyzed [4 + 2] Cycloaddition of Unactivated Aldehydes with Simple Dienes","Journal of the American Chemical Society","2012","134","","5512","5515","10.1021/ja300790x","","","0.71073","MoKα","","0.0508","0.0419","","","0.1107","0.1176","","","","","","1.02","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117743","7.9538","0.0008","7.3938","0.0008","14.4424","0.0014","90","","91.551","0.002","90","","849.03","0.15","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","","Kyohei Fujiwara; Takuya Kurahashi; Seijiro Matsubara","Cationic Iron(III) Porphyrin-Catalyzed [4 + 2] Cycloaddition of Unactivated Aldehydes with Simple Dienes","Journal of the American Chemical Society","2012","134","","5512","5515","10.1021/ja300790x","","","0.71073","MoKα","","0.0482","0.0411","","","0.1127","0.1184","","","","","","1.016","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117744","15.7355","0.0007","16.2056","0.0008","30.5406","0.0014","90","","90","","90","","7788","0.6","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1,1,3,3,3-hexa-tert-butyltrisilane-2,2-diyl 1',3',4',5'-tetramethyl-2',3'-dihydro-1'H-imidazole-2',2'-diyl complex","","- C35 H74 N2 O Si3 -","- C35 H74 N2 O Si3 -","- C280 H592 N16 O8 Si24 -","8","2","","Hiroaki Tanaka; Masaaki Ichinohe; Akira Sekiguchi","An Isolable NHC-Stabilized Silylene Radical Cation: Synthesis and Structural Characterization","Journal of the American Chemical Society","2012","134","","5540","5543","10.1021/ja301180v","","","0.71073","MoKα","","0.082","0.0661","","","0.2032","0.2133","","","","","","1.027","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117745","15.26","0.002","16.593","0.002","20.617","0.003","98.25","0.001","96.718","0.002","90.447","0.002","5129.3","1.2","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","(1,1,1,3,3,3-hexa-tert-butyltrisilane-2-yl-2-ylium 1,3,4,5-tetramthylimidazole-2,2-diyl)- tetrakis[4-(tert-butyldimethylsilyl)-2,3,5,6-tetrafluorophenyl]borate","","- C94 H138.5 B F18.5 N2 Si7 -","- C94 H138.5 B F18.5 N2 Si7 -","- C188 H277 B2 F37 N4 Si14 -","2","1","","Hiroaki Tanaka; Masaaki Ichinohe; Akira Sekiguchi","An Isolable NHC-Stabilized Silylene Radical Cation: Synthesis and Structural Characterization","Journal of the American Chemical Society","2012","134","","5540","5543","10.1021/ja301180v","","","0.71073","MoKα","","0.093","0.0798","","","0.2283","0.245","","","","","","1.021","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117746","15.865","0.001","15.865","0.001","11.7214","0.0008","90","","90","","120","","2555","0.3","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C36 H58 Cl N3 O2 -","- C36 H56 Cl N3 O2 -","- C108 H168 Cl3 N9 O6 -","3","1","","Jeffrey S. Bandar; Tristan H. Lambert","Enantioselective Brønsted Base Catalysis with Chiral Cyclopropenimines","Journal of the American Chemical Society","2012","134","","5552","5555","10.1021/ja3015764","","","0.71073","MoKα","","0.0598","0.0448","","","0.1095","0.1195","","","","","","1.015","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117747","10.308","0.008","6.921","0.004","13.374","0.01","90","","105.34","0.04","90","","920.1","1.1","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.0726","0.0449","","","0.1046","0.1148","","","","","","1.037","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117748","12.034","0.002","15.092","0.002","15.799","0.004","90","","90","","90","","2869.4","0.9","293","2","293","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C128 H136 Br8 O24 -","8","2","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.0968","0.0691","","","0.178","0.2029","","","","","","1.031","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117749","7.155","0.003","20.687","0.005","8.002","0.002","90","","96.52","0.03","90","","1176.8","0.6","198","2","198","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.1362","0.0593","","","0.1188","0.1378","","","","","","0.965","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117750","6.6278","0.0017","8.754","0.002","16.144","0.006","90","","91.31","0.03","90","","936.4","0.5","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.1176","0.053","","","0.0907","0.1027","","","","","","0.96","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117751","8.499","0.004","8.644","0.004","11.641","0.005","106.65","0.04","91.72","0.04","118.25","0.04","707.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 O4 S -","- C15 H18 O4 S -","- C30 H36 O8 S2 -","2","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.0647","0.0415","","","0.0873","0.0944","","","","","","1.041","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117752","8.049","0.004","13.968","0.007","13.793","0.006","90","","96.24","0.04","90","","1541.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C64 H80 O16 S4 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.0611","0.0574","","","0.1526","0.156","","","","","","1.065","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117753","5.558","0.002","19.39","0.011","10.753","0.005","90","","101.62","0.04","90","","1135.1","0.9","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.2553","0.0828","","","0.1483","0.1881","","","","","","0.892","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117754","6.885","0.004","9.275","0.005","9.509","0.004","87.23","0.04","69.53","0.04","74.48","0.04","547.5","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C24 H32 O8 -","2","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","0.71073","MoKα","","0.0931","0.0601","","","0.1529","0.1675","","","","","","1.055","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117755","6.1743","0.0018","12.3846","0.0017","13.243","0.004","86.96","0.018","80.68","0.02","80.571","0.017","985.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 Br O4 -","- C20 H25 Br O4 -","- C40 H50 Br2 O8 -","2","1","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.2242","0.0841","","","0.1986","0.2482","","","","","","0.872","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117756","8","2","12.648","","19.339","","80.57","","80.56","","89.89","","1904","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O -","- C26 H25 N O -","- C104 H100 N4 O4 -","4","2","","Gandeepan, Parthasarathy; Cheng, Chien-Hong","Allylic Carbon-Carbon Double Bond Directed Pd-Catalyzed Oxidative ortho-Olefination of Arenes","Journal of the American Chemical Society","2012","134","13","5738","5741","10.1021/ja300168m","","","0.71073","MoKα","","0.1256","0.1092","","","0.2897","0.3079","","","","","","1.09","","","","has coordinates","219255","2020-10-21","18:00:00",""
"4117757","30.159","0.003","30.159","0.003","30.159","0.003","90","","90","","90","","27432","5","298","2","298","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co225.28 Gd468 Sn446 -","- Co225.28 Gd468 Sn446.008 -","- Co225.28 Gd468 Sn446.008 -","1","0.00520833","","Devin C. Schmitt; Neel Haldolaarachchige; Yimin Xiong; David P. Young; Rongying Jin; Julia Y. Chan","Probing the Lower Limit of Lattice Thermal Conductivity in an Ordered Extended Solid: Gd117Co56Sn112, a Phonon Glass-Electron Crystal System","Journal of the American Chemical Society","2012","134","","5965","5973","10.1021/ja300240g","","","0.71073","MoKα","","0.049","0.0318","","","0.0548","0.0568","","","","","","1.492","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117758","8.3826","0.0003","8.2887","0.0003","10.0343","0.0004","90","","107.865","0.002","90","","663.57","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","0.71073","MoKα","","0.0355","0.033","","","0.0758","0.0777","","","","","","1.096","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117759","7.326","0.005","8.475","0.005","13.777","0.005","74.981","0.005","80.138","0.005","89.74","0.005","813.2","0.8","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","1.5418","CuKα","","0.0721","0.0586","","","0.1571","0.1775","","","","","","1.092","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117760","13.9405","0.0004","5.5449","0.0001","21.0383","0.0006","90","","107.817","0.003","90","","1548.24","0.07","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Mikko V. Leskinen; Kai-Tai Yip; Arto Valkonen; Petri M. Pihko","Palladium-Catalyzed Dehydrogenative β'-Functionalization of β-Keto Esters with Indoles at Room Temperature","Journal of the American Chemical Society","2012","134","","5750","5753","10.1021/ja300684r","","","1.54183","CuKα","","0.0512","0.0445","","","0.1172","0.1257","","","","","","1.024","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117761","11.59","0.002","20.246","0.004","27.885","0.006","68.834","0.003","84.406","0.004","80.583","0.003","6014","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","penta(2,2,6,6-tetramethyl-3,5-heptanedionate)-lithium(I)- di-manganese(II)","","- C55 H95 Li Mn2 O10 -","- C55 H95 Li Mn2 O10 -","- C220 H380 Li4 Mn8 O40 -","4","2","","Anantharamulu Navulla; Lan Huynh; Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Single-Source Molecular Precursor for the Lithium Ion Battery Cathode","Journal of the American Chemical Society","2012","134","","5762","5765","10.1021/ja301112q","","","0.71073","Mo-Kα","","0.1392","0.0721","","","0.1318","0.157","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117762","12.609","0.0012","7.9649","0.0007","15.2476","0.0014","90","","104.307","0.002","90","","1483.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl2 F2 I N O -","- C13 H8 Cl2 F2 I N O -","- C52 H32 Cl8 F8 I4 N4 O4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","0.71073","MoKα","","0.0331","0.0272","","","0.0667","0.0696","","","","","","1.041","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117763","5.876","0.003","15.458","0.009","17.174","0.01","90","","90","","90","","1559.9","1.5","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br2 F N O -","- C17 H12 Br2 F N O -","- C68 H48 Br8 F4 N4 O4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","0.71073","MoKα","","0.073","0.0551","","","0.1313","0.1394","","","","","","1.065","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117764","15.9468","0.0008","6.0282","0.0004","15.2252","0.0008","90","","91.641","0.004","90","","1463.01","0.14","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 S -","- C17 H13 N O3 S -","- C68 H52 N4 O12 S4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","1.54178","CuKα","","0.1023","0.0821","","","0.2135","0.2361","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117765","14.7003","0.0006","9.6373","0.0005","17.7689","0.0007","90","","96.316","0.003","90","","2502.06","0.19","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H32 U -","- C31.5 H32 U -","- C126 H128 U4 -","4","1","","Steven J. Kraft; Phillip E. Fanwick; Suzanne C. Bart","Carbon-Carbon Reductive Elimination from Homoleptic Uranium(IV) Alkyls Induced by Redox-Active Ligands","Journal of the American Chemical Society","2012","134","","6160","6168","10.1021/ja209524u","","","1.54184","CU-Kα","","0.047","0.046","","","0.132","0.134","","","","","","1.134","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4117766","11.3441","0.0002","16.1454","0.0003","21.4984","0.0004","105.701","0.0006","98.6041","0.0007","110.11","0.0006","3428.88","0.11","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C36 H49 O0.5 P2 U -","- C36 H49 O0.5 P2 U -","- C144 H196 O2 P8 U4 -","4","2","","Steven J. Kraft; Phillip E. Fanwick; Suzanne C. Bart","Carbon-Carbon Reductive Elimination from Homoleptic Uranium(IV) Alkyls Induced by Redox-Active Ligands","Journal of the American Chemical Society","2012","134","","6160","6168","10.1021/ja209524u","","","0.71073","MO-Kα","","0.09","0.056","","","0.108","0.126","","","","","","1.095","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4117767","10.8034","0.0017","15.318","0.003","20.369","0.003","109.293","0.002","102.347","0.002","93.685","0.002","3074.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H37 Cl Fe N2 P2 -","- C35 H37 Cl Fe N2 P2 -","- C140 H148 Cl4 Fe4 N8 P8 -","4","2","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0486","0.0336","","","0.0749","0.0814","","","","","","1.017","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117768","13.3964","0.0017","9.939","0.0013","25.814","0.003","90","","91.925","0.001","90","","3435.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl Fe N2 O1.5 P2 -","- C38 H42 Cl Fe N2 O1.5 P2 -","- C152 H168 Cl4 Fe4 N8 O6 P8 -","4","1","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0471","0.0337","","","0.0764","0.0819","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117769","13.223","0.005","15.446","0.005","16.748","0.006","98.679","0.017","100.617","0.019","100.169","0.017","3249","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H51 B F24 Fe N2 P2 -","- C67 H51 B F24 Fe N2 P2 -","- C134 H102 B2 F48 Fe2 N4 P4 -","2","1","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.1304","0.0959","","","0.1839","0.1911","","","","","","2.348","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117770","11.5342","0.0003","17.2154","0.0004","15.2044","0.0004","90","","100.09","0.001","90","","2972.38","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Fe N2 P2 -","- C35 H38 Fe N2 P2 -","- C140 H152 Fe4 N8 P8 -","4","1","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0558","0.0348","","","0.0786","0.0877","","","","","","0.952","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117771","9.4452","0.0003","13.8524","0.0004","15.8369","0.0005","90","","106.667","0.001","90","","1985.03","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Cl2 Fe2 P4 -","- C44 H50 Cl2 Fe2 P4 -","- C88 H100 Cl4 Fe4 P8 -","2","0.5","","Tianbiao Liu; Shentan Chen; Molly J. O'Hagan; Mary Rakowski DuBois; R. Morris Bullock; Daniel L. DuBois","Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2","Journal of the American Chemical Society","2012","134","","6257","6272","10.1021/ja211193j","","","0.71073","MoKα","","0.0319","0.0258","","","0.0907","0.0983","","","","","","0.795","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117772","12.7101","0.0005","38.6697","0.0014","13.7469","0.0005","90","","103.914","0.0005","90","","6558.3","0.4","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H102 K2 N3 O14 Si6 Y -","- C42 H102 K2 N3 O15.52 Si6 Y -","- C168 H408 K8 N12 O62.08 Si24 Y4 -","4","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0688","0.0442","","","0.0996","0.1088","","","","","","1.016","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117773","25.705","0.005","18.868","0.004","25.933","0.005","90","","103.293","0.003","90","","12241","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 N6 O21 Si12 Y2 -","- C78 H190 K2 N6 O21 Si12 Y2 -","- C312 H760 K8 N24 O84 Si48 Y8 -","4","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0383","0.0276","","","0.0699","0.075","","","","","","1.027","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117774","14.9104","0.0007","15.1022","0.0007","15.5953","0.0008","94.6026","0.0006","114.888","0.0006","108.342","0.0006","2930.1","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H188 K2 N6 O18 Si12 Y2 -","- C78 H188 K2 N6 O18 Si12 Y2 -","- C78 H188 K2 N6 O18 Si12 Y2 -","1","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0855","0.0687","","","0.1991","0.212","","","","","","1.046","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117775","21.499","0.002","19.7847","0.0018","26.014","0.002","90","","90","","90","","11065.1","1.7","88","2","88","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H85 K N3 O7 Si6 Y -","- C38 H85 K N3 O7 Si6 Y -","- C304 H680 K8 N24 O56 Si48 Y8 -","8","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0795","0.0654","","","0.1699","0.1819","","","","","","1.051","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117776","11.5505","0.0007","14.5565","0.0009","14.667","0.0009","92.9862","0.0008","106.952","0.0007","109.399","0.0007","2194.4","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H138 K2 N6 O6 Si12 Y2 -","- C54 H138 K2 N6 O6 Si12 Y2 -","- C54 H138 K2 N6 O6 Si12 Y2 -","1","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.042","0.0381","","","0.1003","0.1028","","","","","","1.049","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117777","12.5868","0.0008","38.456","0.002","14.1813","0.0009","90","","101.768","0.0008","90","","6720","0.7","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H102 K2 N3 O16 Si6 Y -","- C44 H102 K2 N3 O16 Si6 Y -","- C176 H408 K8 N12 O64 Si24 Y4 -","4","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.067","0.0455","","","0.0969","0.104","","","","","","1.057","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117778","11.1975","0.0008","18.1867","0.0014","16.7355","0.0012","90","","100.949","0.001","90","","3346.1","0.4","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H102 K2 Lu N3 O14 Si6 -","- C42 H102 K2 Lu N3 O15.52 Si6 -","- C84 H204 K4 Lu2 N6 O31.04 Si12 -","2","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0518","0.0443","","","0.109","0.1125","","","","","","1.029","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117779","25.4359","0.001","18.7392","0.0008","25.6999","0.001","90","","103.009","0.0005","90","","11935.4","0.8","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 Lu2 N6 O21 Si12 -","- C78 H190 K2 Lu2 N6 O21 Si12 -","- C312 H760 K8 Lu8 N24 O84 Si48 -","4","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0422","0.0248","","","0.0471","0.0526","","","","","","0.994","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117780","15.399","0.0014","15.6526","0.0014","15.8991","0.0015","61.9215","0.0009","66.376","0.001","65.6289","0.001","2976.5","0.5","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H196 K2 Lu2 N6 O18 Si12 -","- C78 H196 K2 Lu2 N6 O18 Si12 -","- C78 H196 K2 Lu2 N6 O18 Si12 -","1","0.5","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0404","0.0349","","","0.0813","0.086","","","","","","1.032","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117781","9.611","0.003","32.246","0.01","12.883","0.004","90","","90","","90","","3993","2","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba23 Ga8 S38 Sb2 -","- Ba23 Ga8 S38 Sb2 -","- Ba46 Ga16 S76 Sb4 -","2","0.25","","Mei-Chun Chen; Li-Ming Wu; Hua Lin; Liu-Jiang Zhou; Ling Chen","Disconnection Enhances the Second Harmonic Generation Response: Synthesis and Characterization of Ba23Ga8Sb2S38","Journal of the American Chemical Society","2012","134","","6058","6060","10.1021/ja300249n","","","0.71073","MoKα","","0.0167","0.0155","","","0.0375","0.0377","","","","","","1.066","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117782","8.095","0.003","11.075","0.003","11.901","0.004","100.436","0.005","99.633","0.005","107.409","0.005","972.9","0.6","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Sean T. Roberts; R. Eric McAnally; Joseph N. Mastron; David H. Webber; Matthew T. Whited; Richard L. Brutchey; Mark E. Thompson; Stephen E. Bradforth","Efficient Singlet Fission Discovered in a Disordered Acene Film","Journal of the American Chemical Society","2012","134","","6388","6400","10.1021/ja300504t","","","0.71073","MoKα","","0.0822","0.041","","","0.0577","0.0613","","","","","","0.903","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117783","20.2918","0.0002","45.0388","0.0004","29.4768","0.0003","90","","89.94","","90","","26939.4","0.5","193","2","193","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C168.25 B0 N8 O80 Pd4 Si2 W20 -","- C168.12 N8 O80 Pd4 Si2 W20 -","- C672.48 N32 O320 Pd16 Si8 W80 -","4","1","","Tomohisa Hirano; Kazuhiro Uehara; Keigo Kamata; Noritaka Mizuno","Palladium(II) Containing γ-Keggin Silicodecatungstate That Efficiently Catalyzes Hydration of Nitriles","Journal of the American Chemical Society","2012","134","","6425","6433","10.1021/ja3006012","","x-ray","0.71069","MoKα","","","0.0924","","","","0.2303","","","","","","1.054","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117784","9.7005","0.0019","21.43","0.004","19.585","0.004","90","","104.19","0.03","90","","3947.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H63 P Pb Si8 -","- C22 H63 P Pb Si8 -","- C88 H252 P4 Pb4 Si32 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene","Journal of the American Chemical Society","2012","134","","6409","6415","10.1021/ja300654t","","","0.71073","MoKα","","0.0635","0.0584","","","0.1597","0.1617","","","","","","1.066","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117785","11.896","0.002","12.182","0.002","20.051","0.004","81.96","0.03","74.89","0.03","61.25","0.03","2459.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 B F15 Pb Si8 -","- C34 H48 B F15 Pb Si8 -","- C68 H96 B2 F30 Pb2 Si16 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene","Journal of the American Chemical Society","2012","134","","6409","6415","10.1021/ja300654t","","","0.71073","MoKα","","0.0562","0.0485","","","0.1129","0.1163","","","","","","1.038","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117786","15.913","0.003","18.062","0.004","23.793","0.005","90","","98.49","0.03","90","","6764","2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H96 Pb2 Si16 -","- C32 H96 Pb2 Si16 -","- C128 H384 Pb8 Si64 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene","Journal of the American Chemical Society","2012","134","","6409","6415","10.1021/ja300654t","","","0.71073","MoKα","","0.1085","0.0691","","","0.1609","0.1771","","","","","","0.949","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117787","12.319","0.0006","10.3129","0.0006","17.3538","0.0009","90","","102.139","0.004","90","","2155.4","0.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O5 -","- C27 H24 O5 -","- C108 H96 O20 -","4","1","","Philip Magnus; Wesley A. Freund; Eric J. Moorhead; Trevor Rainey","Formal Synthesis of (\±)-Methyl Rocaglate Using an Unprecedented Acetyl Bromide Mediated Nazarov Reaction","Journal of the American Chemical Society","2012","134","","6140","6142","10.1021/ja300900p","","","0.71073","MoKα","","0.1481","0.054","","","0.0961","0.1227","","","","","","0.992","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117788","10.2737","0.0005","10.3745","0.0004","10.584","0.0005","80.793","0.002","78.723","0.002","85.817","0.002","1091.05","0.09","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C54 H48 O12 -","2","1","","Philip Magnus; Wesley A. Freund; Eric J. Moorhead; Trevor Rainey","Formal Synthesis of (\±)-Methyl Rocaglate Using an Unprecedented Acetyl Bromide Mediated Nazarov Reaction","Journal of the American Chemical Society","2012","134","","6140","6142","10.1021/ja300900p","","","0.71073","MoKα","","0.1841","0.0548","","","0.0932","0.1255","","","","","","0.957","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117789","19.524","0.008","9.76","0.004","17.961","0.008","90","","92.212","0.006","90","","3420","2","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 B Cl2 Fe N8 S3 W -","- C25 H45 B Cl2 Fe N8 S3 W -","- C100 H180 B4 Cl8 Fe4 N32 S12 W4 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0321","0.0252","","","0.053","0.0558","","","","","","1.035","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117790","10.4157","0.0017","10.4559","0.0018","18.83","0.003","80.31","0.003","80.003","0.003","82.389","0.003","1979.5","0.6","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C26 H48.5 B Cl2 Fe2 N7.5 S4 W -","- C26 H48.5 B Cl2 Fe2 N7.5 S4 W -","- C52 H97 B2 Cl4 Fe4 N15 S8 W2 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.054","0.0469","","","0.1163","0.1195","","","","","","1.127","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117791","12.386","0.002","18.724","0.003","18.774","0.003","71.878","0.002","85.544","0.002","74.194","0.002","3981.4","1.1","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H114 B2 Fe4 N14 S12 W2 -","- C58 H114 B2 Fe4 N14 S12 W2 -","- C116 H228 B4 Fe8 N28 S24 W4 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0386","0.0273","","","0.0504","0.054","","","","","","1.046","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117792","9.8026","0.0015","33.054","0.006","11.7328","0.0019","90","","111.846","0.003","90","","3528.6","1","100","1","100","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 B Cl3 Fe3 N7 S3 Se W -","- C23 H42 B Cl3 Fe3 N7 S3 Se W -","- C92 H168 B4 Cl12 Fe12 N28 S12 Se4 W4 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.038","0.0328","","","0.061","0.0623","","","","","","1.163","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117793","10.7035","0.0015","11.7457","0.0016","20.309","0.003","90.973","0.002","91.723","0.002","110.001","0.002","2397.2","0.6","100","1","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C31 H61 B Fe3 N7 O0.5 S6 Se W -","- C31 H61 B Fe3 N7 O0.5 S6 Se W -","- C62 H122 B2 Fe6 N14 O S12 Se2 W2 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0443","0.0388","","","0.1057","0.1111","","","","","","1.077","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117794","11.5364","0.0009","15.3524","0.0012","35.917","0.003","90","","92.642","0.001","90","","6354.5","0.9","100","1","100","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H87 B2 Fe3 N6 P3 S3 Se W -","- C57 H87 B2 Fe3 N6 P3 S3 Se W -","- C228 H348 B8 Fe12 N24 P12 S12 Se4 W4 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0473","0.0354","","","0.0725","0.0768","","","","","","1.062","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117795","23.5402","0.0013","18.55","0.001","25.5168","0.0013","90","","94.29","0.001","90","","11111.2","1","100","1","100","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C67 H135 B2 Fe6 N19 O3.5 S9 Se2 W2 -","- C67 H135 B2 Fe6 N19 O3.5 S9 Se2 W2 -","- C268 H540 B8 Fe24 N76 O14 S36 Se8 W8 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.066","0.0404","","","0.1082","0.1212","","","","","","1.025","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117796","16.21","0.002","16.571","0.003","21.42","0.004","75.838","0.005","87.466","0.005","66.487","0.003","5106.4","1.5","100","1","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H139 B2 Fe6 N19 O4.5 S6 Se5 W2 -","- C68 H139 B2 Fe6 N19 O4.5 S6 Se5 W2 -","- C136 H278 B4 Fe12 N38 O9 S12 Se10 W4 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0697","0.0449","","","0.114","0.1259","","","","","","1.018","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117797","23.704","0.003","18.9992","0.0019","25.383","0.003","90","","93.757","0.003","90","","11407","2","100","1","100","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C65 H132 B2 Fe6 N17 O2.5 S9 Se2 W2 -","- C65 H132 B2 Fe6 N17 O2.5 S9 Se2 W2 -","- C260 H528 B8 Fe24 N68 O10 S36 Se8 W8 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0663","0.0481","","","0.138","0.1489","","","","","","1.032","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117798","16.114","0.002","13.4046","0.0018","30.402","0.004","90","","101.553","0.002","90","","6433.8","1.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H78 B2 Fe4 N15 O2 S9 W2 -","- C44 H78 B2 Fe4 N15 O2 S9 W2 -","- C176 H312 B8 Fe16 N60 O8 S36 W8 -","4","0.5","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0786","0.0689","","","0.2371","0.2439","","","","","","1.081","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117799","20.431","0.006","10.277","0.003","37.268","0.011","90","","91.281","0.005","90","","7823","4","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C53.5 H101.5 B2 Fe4 N16.5 O2.5 S9 W2 -","- C53.5 H101.5 B2 Fe4 N16.5 O2.5 S9 W2 -","- C214 H406 B8 Fe16 N66 O10 S36 W8 -","4","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.1561","0.0703","","","0.1525","0.1937","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117800","28.845","0.005","18.556","0.003","27.418","0.005","90","","111.003","0.002","90","","13700","4","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 B2 Fe4 N12 S6 Se3 W2 -","- C30 H44 B2 Fe4 N12 S6 Se3 W2 -","- C240 H352 B16 Fe32 N96 S48 Se24 W16 -","8","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0916","0.0524","","","0.1407","0.1555","","","","","","1.037","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117801","20.221","0.011","20.241","0.012","21.45","0.013","89.618","0.008","86.912","0.012","64.479","0.009","7910","8","100","1","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C101 H189 B4 Fe8 N31 O3 S12 Se6 W4 -","- C101 H189 B4 Fe8 N31 O3 S12 Se6 W4 -","- C202 H378 B8 Fe16 N62 O6 S24 Se12 W8 -","2","1","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.1981","0.0811","","","0.1947","0.2462","","","","","","1.027","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117802","30.352","0.009","11.039","0.003","22.117","0.007","90","","92.148","0.006","90","","7405","4","100","1","100","1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C54 H104 B2 Fe6 N12 P4 S6 Se2 W2 -","- C54 H104 B2 Fe6 N12 P4 S6 Se2 W2 -","- C216 H416 B8 Fe24 N48 P16 S24 Se8 W8 -","4","0.5","","Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm","Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants","Journal of the American Chemical Society","2012","134","","6479","6490","10.1021/ja3010539","","","0.71073","MoKα","","0.0499","0.0338","","","0.0748","0.0821","","","","","","1.028","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117803","8.3627","0.0003","16.4334","0.0006","15.9457","0.0006","90","","99.668","0.001","90","","2160.26","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACAcetylene","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C104 H120 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0466","0.0419","","","0.1141","0.1182","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117804","16.8334","0.0016","8.7348","0.0008","24.305","0.002","90","","100.763","0.002","90","","3510.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACtBuphenylacetylene","","","- C42 H48 N2 O2 -","- C42 H48 N2 O2 -","- C168 H192 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0713","0.0561","","","0.1446","0.1552","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117805","12.0444","0.0009","23.2835","0.0017","11.9648","0.0009","90","","103.659","0.002","90","","3260.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACCyclohexylacetylene","","","- C38 H46 N2 O2 -","- C38 H46 N2 O2 -","- C152 H184 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0989","0.0647","","","0.1534","0.1775","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117806","9.2245","0.0014","11.6531","0.0018","14.266","0.002","97.528","0.004","104.301","0.004","108.506","0.003","1372.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACDMADKinetic","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C60 H68 N4 O12 -","2","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.1061","0.0642","","","0.14","0.1672","","","","","","1.006","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117807","20.1337","0.001","8.1571","0.0004","33.9244","0.0017","90","","93.899","0.003","90","","5558.6","0.5","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","DACDMADthermal","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C240 H272 N16 O48 -","8","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0806","0.0563","","","0.1178","0.1296","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117808","8.7238","0.0003","17.0451","0.0007","18.8797","0.0007","90","","95.197","0.001","90","","2795.83","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACMeOBenzonitrile","","","- C32 H35 N3 O3 -","- C32 H35 N3 O3 -","- C128 H140 N12 O12 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.044","0.0398","","","0.1033","0.1062","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117809","11.88","0.003","12.278","0.003","12.464","0.003","70.128","0.005","61.921","0.004","73.727","0.005","1492.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DACTetracyanoethylene","","","- C31 H29 Cl3 N6 O2 -","- C31 H29 Cl3 N6 O2 -","- C62 H58 Cl6 N12 O4 -","2","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.158","0.0863","","","0.1811","0.2205","","","","","","1.006","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117810","18.911","0.006","9.338","0.003","19.236","0.005","90","","116.261","0.003","90","","3046.3","1.6","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 O2 Si -","- C39 H36 O2 Si -","- C156 H144 O8 Si4 -","4","1","","Yasunori Minami; Yuki Shiraishi; Kotomi Yamada; Tamejiro Hiyama","Palladium-Catalyzed Cycloaddition of Alkynyl Aryl Ethers with Internal Alkynes via Selective Ortho C-H Activation","Journal of the American Chemical Society","2012","134","","6124","6127","10.1021/ja301588z","","","0.71075","MoKα","","","0.0557","","","","0.1178","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117811","9.2723","0.0009","16.0604","0.0016","18.9428","0.0019","90","","90","","90","","2820.9","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 Br3 N4 O -","- C32 H25 Br3 N4 O -","- C128 H100 Br12 N16 O4 -","4","1","","Daniel A. DiRocco; Kevin M. Oberg; Tomislav Rovis","Isolable Analogues of the Breslow Intermediate Derived from Chiral Triazolylidene Carbenes","Journal of the American Chemical Society","2012","134","","6143","6145","10.1021/ja302031v","","","0.71073","MoKα","","0.1035","0.0371","","","0.0586","0.0693","","","","","","0.961","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117812","9.852","0.0004","8.8052","0.0004","17.8104","0.0007","90","","90.677","0.002","90","","1544.92","0.11","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H27 Br3 N4 O -","- C34 H27 Br3 N4 O -","- C68 H54 Br6 N8 O2 -","2","1","","Daniel A. DiRocco; Kevin M. Oberg; Tomislav Rovis","Isolable Analogues of the Breslow Intermediate Derived from Chiral Triazolylidene Carbenes","Journal of the American Chemical Society","2012","134","","6143","6145","10.1021/ja302031v","","","0.71073","MoKα","","0.1373","0.0618","","","0.1507","0.176","","","","","","1.031","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117813","13.3302","0.0008","14.5868","0.001","23.7796","0.0017","92.59","0.003","93.906","0.003","103.155","0.003","4483.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H95 B2 Cu2 N11 O4 S2 -","- C108 H95 B2 Cu2 N11 O4 S2 -","- C216 H190 B4 Cu4 N22 O8 S4 -","2","1","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.0588","0.0391","","","0.0757","0.0841","","","","","","1.011","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117814","24.378","0.002","20.8777","0.0016","26.115","0.002","90","","102.489","0.003","90","","12976.9","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C111 H133 Cl4 N16 O40 S4 Zn4 -","- C111 H107 Cl4 N16 O40 S4 Zn4 -","- C444 H428 Cl16 N64 O160 S16 Zn16 -","4","1","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.0894","0.0664","","","0.1739","0.1998","","","","","","1.125","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117815","17.176","0.007","11.301","0.004","10.045","0.004","90","","96.726","0.011","90","","1936.4","1.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cu N6 O4 S2 -","- C44 H40 Cu N6 O4 S2 -","- C88 H80 Cu2 N12 O8 S4 -","2","0.5","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.1312","0.0662","","","0.1537","0.1918","","","","","","1.014","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117816","24.349","0.0009","24.349","0.0009","24.349","0.0009","90","","90","","90","","14435.9","0.9","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C143 H139 Cl2 N23 O23 S6 Zn6 -","- C143 H129 Cl2 N23 O23 S6 Zn6 -","- C572 H516 Cl8 N92 O92 S24 Zn24 -","4","0.166667","","Anuj K. Sharma; Stephanie T. Pavlova; Jaekwang Kim; Darren Finkelstein; Nicholas J. Hawco; Nigam P. Rath; Jungsu Kim; Liviu M. Mirica","Bifunctional Compounds for Controlling Metal-Mediated Aggregation of the Aβ42 Peptide","Journal of the American Chemical Society","2012","134","","6625","6636","10.1021/ja210588m","","","0.71073","MoKα","","0.1372","0.0923","","","0.2494","0.302","","","","","","1.048","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117817","16.898","0.004","20.061","0.005","28.135","0.007","93.763","0.005","100.76","0.005","98.377","0.005","9227","4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H156 Pd6 S12 -","- C72 H156 Pd6 S12 -","- C288 H624 Pd24 S48 -","4","2","","Valentine P. Ananikov; Nikolay V. Orlov; Sergey S. Zalesskiy; Irina P. Beletskaya; Victor N. Khrustalev; Keiji Morokuma; Djamaladdin G. Musaev","Catalytic Adaptive Recognition of Thiol (SH) and Selenol (SeH) Groups Toward Synthesis of Functionalized Vinyl Monomers","Journal of the American Chemical Society","2012","134","","6637","6649","10.1021/ja210596w","","","0.71073","MoKα","","0.2447","0.0845","","","0.1523","0.1785","","","","","","1.024","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117818","13.0069","0.001","15.6351","0.0011","20.2288","0.0015","104.369","0.001","104.206","0.001","99.76","0.001","3745.2","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C75 H66 B F24 N O P3 Ru Si -","- C75 H66 B F24 N O P3 Ru Si -","- C150 H132 B2 F48 N2 O2 P6 Ru2 Si2 -","2","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.0634","0.0492","","","0.1511","0.1654","","","","","","1.201","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117819","15.1068","0.0014","15.2076","0.0012","17.5911","0.0016","90","","110.504","0.003","90","","3785.3","0.6","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C75 H73 B F24 N3 O P3 Ru Si -","- C75 H73 B F24 N3 O P3 Ru Si -","- C150 H146 B2 F48 N6 O2 P6 Ru2 Si2 -","2","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.0964","0.0595","","","0.1309","0.1515","","","","","","1.017","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117820","12.6608","0.0006","13.329","0.0006","28.9276","0.0013","90","","92.074","0.002","90","","4878.5","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H69 F6 N O2 P4 Ru Si -","- C47 H69 F6 N O2 P4 Ru Si -","- C188 H276 F24 N4 O8 P16 Ru4 Si4 -","4","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","0.71073","MoKα","","0.056","0.0386","","","0.1005","0.1133","","","","","","1.062","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117821","17.4556","0.0004","15.9409","0.0004","20.2398","0.0005","90","","110.714","0.002","90","","5267.8","0.2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C52 H66 F6 N O5 P3 Ru S Si -","- C52 H66 F6 N O5 P3 Ru S Si -","- C208 H264 F24 N4 O20 P12 Ru4 S4 Si4 -","4","1","","Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters","A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides","Journal of the American Chemical Society","2012","134","","6695","6706","10.1021/ja211603f","","","1.54178","CuKα","","0.0355","0.0337","","","0.0974","0.0995","","","","","","1.051","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117822","11.7577","0.0004","14.9817","0.0005","16.9882","0.0005","88.234","0.002","73.097","0.002","86.124","0.002","2856.45","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Phenyltris(3-mesitylimidazol-2-ylidine)borato) (2,2',6,6'-tetramethylpipyridylnitroxido)iron(II)","","- C51 H62 B Fe N7 O -","- C51 H62 B Fe N7 O -","- C102 H124 B2 Fe2 N14 O2 -","2","1","","Jeremy M. Smith; Derick E. Mayberry; Charles G. Margarit; Jörg Sutter; Haobin Wang; Karsten Meyer; Ranko P. Bontchev","N-O Bond Homolysis of an Iron(II) TEMPO Complex Yields an Iron(III) Oxo Intermediate","Journal of the American Chemical Society","2012","134","","6516","6519","10.1021/ja211882e","","","0.71073","MoKα","","0.0457","0.0427","","","0.125","0.1283","","","","","","1.079","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117823","12.1292","0.0004","12.236","0.0004","17.9044","0.0006","98.278","0.002","99.104","0.002","100.639","0.002","2537.27","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H59 B Fe N6 O -","- C61 H59 B Fe N6 O -","- C122 H118 B2 Fe2 N12 O2 -","2","1","","Jeremy M. Smith; Derick E. Mayberry; Charles G. Margarit; Jörg Sutter; Haobin Wang; Karsten Meyer; Ranko P. Bontchev","N-O Bond Homolysis of an Iron(II) TEMPO Complex Yields an Iron(III) Oxo Intermediate","Journal of the American Chemical Society","2012","134","","6516","6519","10.1021/ja211882e","","","0.71073","MoKα","","0.0826","0.0479","","","0.1338","0.1576","","","","","","1.076","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117824","12.5259","0.0004","21.7719","0.0007","14.6165","0.0005","90","","114.146","0.001","90","","3637.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl3 F3 N9 O3 Rh S -","- C34 H24 Cl3 F3 N9 O3 Rh S -","- C136 H96 Cl12 F12 N36 O12 Rh4 S4 -","4","1","","Nanda D. Paul; Utpal Rana; Sreetosh Goswami; Tapan K. Mondal; Sreebrata Goswami","Azo Anion Radical Complex of Rhodium as a Molecular Memory Switching Device: Isolation, Characterization, and Evaluation of Current-Voltage Characteristics","Journal of the American Chemical Society","2012","134","","6520","6523","10.1021/ja212197s","","","0.71073","MoKα","","0.0472","0.0325","","","0.077","0.0842","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4117825","10.571","0.011","12.8345","0.0014","21.125","0.002","90","","91.8493","0.0041","90","","2865","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 O4 P S -","- C38 H27 O4 P S -","- C152 H108 O16 P4 S4 -","4","1","","Pierre-Antoine Bouit; Aude Escande; Rózsa Szücs; Dénes Szieberth; Christophe Lescop; László Nyulászi; Muriel Hissler; Régis Réau","Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","2012","134","","6524","6527","10.1021/ja300171y","","","0.71069","MoKα","","0.159","0.0662","","","0.1667","0.2419","","","","","","0.828","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117826","9.1252","0.0004","14.5686","0.0006","16.1866","0.0008","112.794","0.003","102.556","0.002","94.197","0.002","1906.52","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H32 Cl2 F3 O7 P S2 -","- C41 H32 Cl2 F3 O7 P S2 -","- C82 H64 Cl4 F6 O14 P2 S4 -","2","1","","Pierre-Antoine Bouit; Aude Escande; Rózsa Szücs; Dénes Szieberth; Christophe Lescop; László Nyulászi; Muriel Hissler; Régis Réau","Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","2012","134","","6524","6527","10.1021/ja300171y","","","0.71073","MoKα","","0.0758","0.056","","","0.1504","0.1713","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117827","12.7622","0.0011","13.2528","0.001","14.1164","0.001","87.397","0.004","79.573","0.004","61.235","0.004","2056","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H54 Au B0 Cl0 F0 O8 P2 S0 -","- C76 H54 Au O8 P2 -","- C76 H54 Au O8 P2 -","1","0.5","","Pierre-Antoine Bouit; Aude Escande; Rózsa Szücs; Dénes Szieberth; Christophe Lescop; László Nyulászi; Muriel Hissler; Régis Réau","Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","2012","134","","6524","6527","10.1021/ja300171y","","","0.71069","MoKα","","0.0376","0.0344","","","0.0941","0.0963","","","","","","1.077","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117828","10.3706","0.0017","9.6865","0.0016","11.846","0.002","90","","93.873","0.013","90","","1187.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O3 -","- C10 H18 N2 O3 -","- C40 H72 N8 O12 -","4","1","","Maréva Fèvre; Julien Pinaud; Alexandre Leteneur; Yves Gnanou; Joan Vignolle; Daniel Taton; Karinne Miqueu; Jean-Marc Sotiropoulos","Imidazol(in)ium Hydrogen Carbonates as a Genuine Source of N-Heterocyclic Carbenes (NHCs): Applications to the Facile Preparation of NHC Metal Complexes and to NHC-Organocatalyzed Molecular and Macromolecular Syntheses","Journal of the American Chemical Society","2012","134","","6776","6784","10.1021/ja3005804","","","1.54178","CuKα","","0.0859","0.0737","","","0.1745","0.1892","","","","","","1.016","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117829","8.7605","0.0002","11.7073","0.0004","29.4967","0.0009","90","","90","","90","","3025.23","0.15","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H29 N O3 Si -","- C38 H29 N O3 Si -","- C152 H116 N4 O12 Si4 -","4","1","","Zhi-Yong Han; Dian-Feng Chen; Ya-Yi Wang; Rui Guo; Pu-Sheng Wang; Chao Wang; Liu-Zhu Gong","Hybrid Metal/Organo Relay Catalysis Enables Enynes To Be Latent Dienes for Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2012","134","","6532","6535","10.1021/ja3007148","","","1.54184","CuKα","","0.0502","0.0439","","","0.1231","0.1312","","","","","","1.021","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117830","11.3523","0.0001","17.745","0.0001","22.1942","0.0001","90","","90","","90","","4470.95","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(I)2Si(B(L))(N(SiMe3)(2,6-C6H3iPr2))","","- C41 H62 B I2 N3 Si2 -","- C41 H62 B I2 N3 Si2 -","- C164 H248 B4 I8 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0342","0.029","","0.0349","0.0292","0.0281","","","","","","1.0162","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117831","12.7468","0.0003","20.3216","0.0005","19.4027","0.0005","90","","94.8071","0.0011","90","","5008.3","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Si{B(NDippCH)2}{N(Dipp)SiMe3}","","- C52 H72 B2 N4 Sn -","- C52 H72 B2 N4 Sn -","- C208 H288 B8 N16 Sn4 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.1288","0.1026","","0.2675","0.246","0.2675","","","","","","0.957","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117832","11.3586","0.0001","14.4823","0.0002","28.0668","0.0004","85.2951","0.0005","83.7451","0.0005","76.5428","0.0005","4455.78","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sn{B(NDippCH)2}{N(SiMe3)Dipp}","","- C41 H62 B N3 Si Sn -","- C41 H62 B N3 Si Sn -","- C164 H248 B4 N12 Si4 Sn4 -","4","2","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0696","0.0451","","0.122","0.1098","0.122","","","","","","0.9236","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117833","12.3688","0.0005","12.5625","0.0005","19.8714","0.0007","99.87","0.003","103.835","0.003","100.901","0.003","2867","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Ge{B(NDippCH)2}{N(SiMe3)Dipp*}","","- C64.5 H78 B Ge N3 Si -","- C64.5 H78 B Ge N3 Si -","- C129 H156 B2 Ge2 N6 Si2 -","2","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0574","0.0415","","","0.0887","0.0957","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117834","10.54535","0.00004","21.63077","0.00008","18.17499","0.00006","90","","93.0425","0.0003","90","","4139.94","0.03","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Si{B(NDippCH)2}{N(Dipp)SiMe3}","","- C41 H62 B N3 Si2 -","- C41 H62 B N3 Si2 -","- C164 H248 B4 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","1.54184","CuKα","","0.0345","0.0334","","0.0345","0.0343","0.0342","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117835","20.38147","0.00015","13.94342","0.0001","28.0053","0.0002","90","","92.4363","0.0007","90","","7951.56","0.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(H)SiC(Me)2(CHMe2)C6H3B(NDippCH){N(Dipp)SiMe3}","","- C41 H62 B N3 Si2 -","- C41 H62 B N3 Si2 -","- C328 H496 B8 N24 Si16 -","8","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","1.54184","CuKα","","0.0437","0.0401","","0.0249","0.0241","0.0239","","","","","","1.0639","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117836","11.0507","0.0002","21.7304","0.0004","17.4807","0.0003","90","","100.077","0.0008","90","","4132.99","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","H2Si{B(NDippCH)2}{N(Dipp)SiMe3}","","- C41 H64 B N3 Si2 -","- C41 H64 B N3 Si2 -","- C164 H256 B4 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0989","0.0528","","0.0713","0.0457","0.042","","","","","","1.1274","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117837","10.738","0.002","27.404","0.006","15.095","0.003","90","","104.04","0.03","90","","4309.2","1.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Si{N(Dipp)SiMe3}Br)2C10H10]","","- C40 H60 Br2 N2 Si4 -","- C40 H60 Br2 N2 Si4 -","- C160 H240 Br8 N8 Si16 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.1439","0.0603","","0.1031","0.0597","0.0597","","","","","","1.114","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117838","13.3874","0.0007","18.7441","0.001","15.9982","0.0008","90","","95.207","0.001","90","","3997.9","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 S2 Si -","- C48 H50 S2 Si -","- C192 H200 S8 Si4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","Isolation of a Stable, Acyclic, Two-Coordinate Silylene","Journal of the American Chemical Society","2012","134","","6504","6507","10.1021/ja301091v","","","0.71073","MoKα","","0.0438","0.0357","","","0.0937","0.0991","","","","","","1.052","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117839","16.0546","0.0008","14.7263","0.0008","18.1452","0.0009","90","","91.723","0.001","90","","4288","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Br2 S2 Si -","- C48 H50 Br2 S2 Si -","- C192 H200 Br8 S8 Si4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","Isolation of a Stable, Acyclic, Two-Coordinate Silylene","Journal of the American Chemical Society","2012","134","","6504","6507","10.1021/ja301091v","","","0.71073","MoKα","","0.0402","0.0277","","","0.0611","0.0654","","","","","","1.016","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117840","17.1406","0.0007","11.7612","0.0005","40.5573","0.0016","90","","95.205","0.001","90","","8142.4","0.6","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 S2 Si -","- C48 H52 S2 Si -","- C384 H416 S16 Si8 -","8","2","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Heikki M. Tuononen; Philip P. Power","Isolation of a Stable, Acyclic, Two-Coordinate Silylene","Journal of the American Chemical Society","2012","134","","6504","6507","10.1021/ja301091v","","","0.71073","MoKα","","0.0564","0.039","","","0.0925","0.1017","","","","","","1.01","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117841","10.5462","0.0007","10.8009","0.0007","27.5951","0.0017","82.413","0.002","83.268","0.003","89.393","0.003","3094.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 Au4 Cu4 O10 -","- C60 H84 Au4 Cu4 O10 -","- C120 H168 Au8 Cu8 O20 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou","Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster","Journal of the American Chemical Society","2012","134","","6564","6567","10.1021/ja3018994","","","0.71073","MoKα","","0.0815","0.0672","","","0.166","0.1766","","","","","","1.056","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117842","15.3186","0.0012","20.945","0.0017","21.9478","0.0016","98.87","0.004","110.22","0.004","90.562","0.004","6513.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H168 Au8 Cu8 O16 -","- C133 H168 Au8 Cu8 O16 -","- C266 H336 Au16 Cu16 O32 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou","Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster","Journal of the American Chemical Society","2012","134","","6564","6567","10.1021/ja3018994","","","0.71073","MoKα","","0.1084","0.0852","","","0.1901","0.201","","","","","","1.154","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117843","14.2646","0.0013","14.3128","0.0007","16.4962","0.0008","113.804","0.002","103.21","0.003","103.317","0.003","2796.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Au4 Cu4 O8 -","- C56 H72 Au4 Cu4 O8 -","- C112 H144 Au8 Cu8 O16 -","2","1","","Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou","Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster","Journal of the American Chemical Society","2012","134","","6564","6567","10.1021/ja3018994","","","0.71073","MoKα","","0.0917","0.0568","","","0.1067","0.1243","","","","","","1.042","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117844","11.7431","0.0009","13.7282","0.0012","18.132","0.0016","89.559","0.004","89.755","0.004","80.206","0.004","2880.4","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H62 B F10 O P3 Pt -","- C64 H62 B F10 O P3 Pt -","- C128 H124 B2 F20 O2 P6 Pt2 -","2","1","","Abderrahmane Amgoune; Sonia Ladeira; Karinne Miqueu; Didier Bourissou","Coordination of Phosphinoboranes R2PB(C6F5)2 to Platinum: An Alkene-Type Behavior","Journal of the American Chemical Society","2012","134","","6560","6563","10.1021/ja301929n","","","0.71073","MoKα","","0.0264","0.0224","","","0.0592","0.0625","","","","","","1.12","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117845","11.731","0.003","12.456","0.003","19.203","0.006","73.402","0.007","75.16","0.017","70.012","0.007","2487.6","1.2","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C56 H48 B F10 P3 Pt -","- C56 H48 B F10 P3 Pt -","- C112 H96 B2 F20 P6 Pt2 -","2","1","","Abderrahmane Amgoune; Sonia Ladeira; Karinne Miqueu; Didier Bourissou","Coordination of Phosphinoboranes R2PB(C6F5)2 to Platinum: An Alkene-Type Behavior","Journal of the American Chemical Society","2012","134","","6560","6563","10.1021/ja301929n","","x-ray","0.71073","MoKα","","0.0192","0.0169","","","0.0404","0.0415","","","","","","1.025","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117846","6.0936","0.0001","20.5265","0.0004","12.0548","0.0002","90","","90.614","0.001","90","","1507.73","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C60 H84 N12 O20 -","4","1","","Ana de Bettencourt-Dias; Patrick S. Barber; Sebastian Bauer","A Water-Soluble Pybox Derivative and Its Highly Luminescent Lanthanide Ion Complexes","Journal of the American Chemical Society","2012","134","","6987","6994","10.1021/ja209572m","","","0.71073","MoKα","","0.0587","0.044","","","0.1111","0.121","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117847","26.4509","0.0011","30.4696","0.0013","34.6741","0.0015","90","","90","","90","","27946","2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C168 H192 Cl8 N16 O8 Zn8 -","- C168 H192 Cl8 N16 O8 Zn8 -","- C672 H768 Cl32 N64 O32 Zn32 -","4","1","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.1658","0.0882","","","0.2135","0.2352","","","","","","1.064","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117848","11.9695","0.0002","12.97","0.0002","15.5683","0.0003","74.963","0.001","82.105","0.001","67.243","0.001","2150.57","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H112 N8 O6 Zn2 -","- C92 H110 N8 O6 Zn2 -","- C92 H110 N8 O6 Zn2 -","1","0.5","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.061","0.0592","","","0.1678","0.1698","","","","","","1.062","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117849","19.0103","0.0007","26.1002","0.0014","23.7311","0.0011","90","","92.682","0.003","90","","11761.8","0.9","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C188 H232 Cl8 N16 O13 Zn8 -","- C188 H232 Cl8 N16 O13 Zn8 -","- C376 H464 Cl16 N32 O26 Zn16 -","2","1","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.0944","0.0889","","","0.2529","0.262","","","","","","1.091","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117850","21.698","0.003","21.698","0.003","6.869","0.0014","90","","90","","120","","2800.7","0.8","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H14 N O4 Zn -","- C12 H14 N O4 Zn -","- C72 H84 N6 O24 Zn6 -","6","1","","Thomas M. McDonald; Woo Ram Lee; Jarad A. Mason; Brian M. Wiers; Chang Seop Hong; Jeffrey R. Long","Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc)","Journal of the American Chemical Society","2012","134","","7056","7065","10.1021/ja300034j","","","0.85","synchrotron","","0.0501","0.0466","","","0.1204","0.1223","","","","","","1.073","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117851","12.832","0.003","16.927","0.004","18.037","0.004","110.808","0.003","95.034","0.003","94.507","0.0018","3622.7","1.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H90 Cl Mn2 N9 O15 -","- C74 H86 Cl Mn2 N9 O15 -","- C148 H172 Cl2 Mn4 N18 O30 -","2","1","","Wei-Xiong Zhang; Takuya Shiga; Hitoshi Miyasaka; Masahiro Yamashita","New Approach for Designing Single-Chain Magnets: Organization of Chains via Hydrogen Bonding between Nucleobases","Journal of the American Chemical Society","2012","134","","6908","6911","10.1021/ja300152k","","","0.71075","MoKα","","0.0728","0.0525","","","0.1364","0.1573","","","","","","0.998","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117852","12.7468","0.0002","15.0237","0.0002","18.0997","0.0001","65.771","0.006","81.564","0.008","78.308","0.008","3087.41","0.18","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H65 Cl2 Mn2 N9 O15 -","- C65 H65 Cl2 Mn2 N9 O15 -","- C130 H130 Cl4 Mn4 N18 O30 -","2","1","","Wei-Xiong Zhang; Takuya Shiga; Hitoshi Miyasaka; Masahiro Yamashita","New Approach for Designing Single-Chain Magnets: Organization of Chains via Hydrogen Bonding between Nucleobases","Journal of the American Chemical Society","2012","134","","6908","6911","10.1021/ja300152k","","","0.71075","MoKα","","0.1266","0.1008","","","0.2732","0.283","","","","","","0.999","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117853","8.694","0.002","12.552","0.003","17.328","0.004","90","","90","","90","","1891","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br N2 O2 -","- C23 H17 Br N2 O2 -","- C92 H68 Br4 N8 O8 -","4","1","","Jia-Rong Chen; Wan-Rong Dong; Mathieu Candy; Fang-Fang Pan; Manuel Jörres; Carsten Bolm","Enantioselective Synthesis of Dihydropyrazoles by Formal [4+1] Cycloaddition of in Situ-Derived Azoalkenes and Sulfur Ylides","Journal of the American Chemical Society","2012","134","","6924","6927","10.1021/ja301196x","","","0.71073","MoKα","","0.0333","0.029","","","0.0635","0.0652","","","","","","1.05","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117854","12.361","0.003","20.068","0.004","24.351","0.005","90","","90","","90","","6041","2","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ar'Ga(C7H8)GaAr'","","","- C71 H92 Ga2 O -","- C71 H92 Ga2 O -","- C284 H368 Ga8 O4 -","4","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0257","0.0245","","","0.0581","0.0588","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117855","17.7733","0.0012","15.1613","0.0012","21.9265","0.0015","90","","96.57","0.001","90","","5869.7","0.7","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ar'Ga(C8H8)GaAr'","","","- C68 H82 Ga2 -","- C68 H82 Ga2 -","- C272 H328 Ga8 -","4","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0356","0.0286","","","0.0708","0.0739","","","","","","1.023","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117856","12.247","0.003","13.46","0.005","19.666","0.006","92.672","0.016","99.319","0.016","110.348","0.015","2980.8","1.6","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Ar'Ga(C5H5)GaAr'","","","- C70 H92 Ga2 -","- C65 H80 Ga2 -","- C130 H160 Ga4 -","2","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0425","0.0371","","","0.0968","0.0992","","","","","","1.073","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117857","12.785","0.0006","14.0628","0.0007","19.8833","0.0009","94.142","0.001","101.241","0.001","97.051","0.001","3462.8","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Ar'Ga(C7H8)GaAr'","","","- C79 H108 Ga2 -","- C73 H96 Ga2 -","- C146 H192 Ga4 -","2","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0352","0.032","","","0.1008","0.1037","","","","","","1.081","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117858","18.6293","0.0015","10.7594","0.0009","14.4721","0.0013","90","","108.603","0.003","90","","2749.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 N6 O9 Zn -","- C22 H24 Cl2 N6 O9 Zn -","- C88 H96 Cl8 N24 O36 Zn4 -","4","1","","Lei You; Gennaro Pescitelli; Eric V. Anslyn; Lorenzo Di Bari","An Exciton-Coupled Circular Dichroism Protocol for the Determination of Identity, Chirality, and Enantiomeric Excess of Chiral Secondary Alcohols","Journal of the American Chemical Society","2012","134","","7117","7125","10.1021/ja301252h","","","0.71069","MoKα","","0.0332","0.0303","","","0.073","0.0744","","","","","","1.087","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117859","32.5889","0.0019","8.4679","0.0005","22.0407","0.0014","90","","96.924","0.001","90","","6038","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 F3 Ir N O3 P S -","- C30 H38 F3 Ir N O3 P S -","- C240 H304 F24 Ir8 N8 O24 P8 S8 -","8","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0544","0.0405","","","0.1005","0.1071","","","","","","1.031","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117860","11.8563","0.0011","16.3032","0.0015","12.3373","0.001","90","","99.002","0.002","90","","2355.4","0.4","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Ir P -","- C27 H34 Ir P -","- C108 H136 Ir4 P4 -","4","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0543","0.038","","","0.0976","0.1055","","","","","","1.059","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117861","12.5935","0.0004","13.3827","0.0004","18.9554","0.0006","90","","106.628","0.001","90","","3061.06","0.17","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H56 B F24 Ir P2 -","- C62 H56 B F24 Ir P2 -","- C124 H112 B2 F48 Ir2 P4 -","2","1","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0204","0.0195","","","0.0498","0.0502","","","","","","1.038","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117862","17.2137","0.0015","17.9944","0.0016","19.2836","0.0018","87.003","0.004","74.514","0.003","88.167","0.003","5747.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H45 B F24 Ir P -","- C59 H45 B F24 Ir P -","- C236 H180 B4 F96 Ir4 P4 -","4","2","","Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona","Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions","Journal of the American Chemical Society","2012","134","","7165","7175","10.1021/ja301759m","","","0.71073","MoKα","","0.0829","0.0696","","","0.144","0.1659","","","","","","1.063","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117863","13.858","0.005","14.692","0.005","22.582","0.007","90","","90","","90","","4598","3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H63 N O Si2 -","- C50 H63 N O Si2 -","- C200 H252 N4 O4 Si8 -","4","1","","Daisuke Uraguchi; Kyohei Koshimoto; Takashi Ooi","Ionic Nucleophilic Catalysis of Chiral Ammonium Betaines for Highly Stereoselective Aldol Reaction from Oxindole-Derived Vinylic Carbonates","Journal of the American Chemical Society","2012","134","","6972","6975","10.1021/ja3022939","","","0.71073","MoKα","","0.1559","0.0939","","","0.2496","0.2888","","","","","","1.014","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117864","6.1197","0.0019","19.421","0.006","20.604","0.006","90","","90","","90","","2448.8","1.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Br Cl N O2 -","- C29 H23 Br Cl N O2 -","- C116 H92 Br4 Cl4 N4 O8 -","4","1","","Daisuke Uraguchi; Kyohei Koshimoto; Takashi Ooi","Ionic Nucleophilic Catalysis of Chiral Ammonium Betaines for Highly Stereoselective Aldol Reaction from Oxindole-Derived Vinylic Carbonates","Journal of the American Chemical Society","2012","134","","6972","6975","10.1021/ja3022939","","","0.71073","MoKα","","0.0645","0.0438","","","0.0915","0.1106","","","","","","1.019","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117865","12.8702","0.001","10.2362","0.0009","15.4223","0.0014","90","","112.269","0.006","90","","1880.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F7 N O3 -","- C18 H18 F7 N O3 -","- C72 H72 F28 N4 O12 -","4","2","","Aaron T. Herrmann; Lindsay L. Smith; Armen Zakarian","A Simple Method for Asymmetric Trifluoromethylation of N-Acyl Oxazolidinones via Ru-Catalyzed Radical Addition to Zirconium Enolates","Journal of the American Chemical Society","2012","134","","6976","6979","10.1021/ja302552e","","","0.71073","MoKα","","0.0371","0.0323","","","0.0583","0.0592","","","","","","1.589","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117866","8.0419","0.0015","13.342","0.002","18.841","0.004","90","","90","","90","","2021.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H Cl4 N O3 Zr -","- C15 H19 Cl4 N O3 Zr -","- C60 H76 Cl16 N4 O12 Zr4 -","4","1","","Aaron T. Herrmann; Lindsay L. Smith; Armen Zakarian","A Simple Method for Asymmetric Trifluoromethylation of N-Acyl Oxazolidinones via Ru-Catalyzed Radical Addition to Zirconium Enolates","Journal of the American Chemical Society","2012","134","","6976","6979","10.1021/ja302552e","","","0.71073","MoKα","","0.06","0.0395","","","0.0718","0.078","","","","","","0.998","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117867","38.741","0.0002","38.741","0.0002","38.741","0.0002","90","","90","","90","","58145","0.5","100","2","100","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C276 Ir6 N24 O32 Zr6 -","- C276 Ir6 N24 O32 Zr6 -","- C1104 Ir24 N96 O128 Zr24 -","4","0.0833333","","Cheng Wang; Kathryn E. deKrafft; Wenbin Lin","Pt Nanoparticles @ Photoactive Metal-Organic Frameworks: Efficient Hydrogen Evolution via Synergistic Photoexcitation and Electron Injection","Journal of the American Chemical Society","2012","134","","7211","7214","10.1021/ja300539p","","","1.54178","CuKα","","0.2796","0.2135","","","0.3675","0.3909","","","","","","2.168","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117868","9.3778","0.0007","10.6469","0.0009","11.5491","0.0009","87.747","0.002","79.414","0.002","74.812","0.002","1093.85","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S2 -","- C24 H25 N O4 S2 -","- C48 H50 N2 O8 S4 -","2","1","","José A. Souto; Debora Zian; Kilian Muñiz","Iodine(III)-Mediated Intermolecular Allylic Amination under Metal-Free Conditions","Journal of the American Chemical Society","2012","134","","7242","7245","10.1021/ja3013193","","","0.71073","MoKα","","0.0667","0.0594","","","0.1796","0.1877","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117869","8.297","","8.816","","9.846","","68.65","","79.9","","71","","632.907","","100","2","100","2","","","","","","","","7","P -1","-P 1","2","xwf41a","","","- C7 H17 Cl2 N3 O2 Re0.5 Zn0.5 -","- C7 H17 Cl2 N3 O2 Re0.5 Zn0.5 -","- C14 H34 Cl4 N6 O4 Re Zn -","2","1","","Xiaowen Feng; Junjie Liu; T. David Harris; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation Induced by a Large Transverse Zero-Field Splitting in a MnIIReIV(CN)2 Single-Chain Magnet","Journal of the American Chemical Society","2012","134","","7521","7529","10.1021/ja301338d","","","0.71073","MoKα","","0.0474","0.0449","","","0.0954","0.0973","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117870","10.778","","12.316","","14.407","","90","","107.01","","90","","1828.75","","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","xwf22a","","","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C13 H26 Cl2 Fe0.5 N3 O2 Re0.5 -","- C52 H104 Cl8 Fe2 N12 O8 Re2 -","4","1","","Xiaowen Feng; Junjie Liu; T. David Harris; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation Induced by a Large Transverse Zero-Field Splitting in a MnIIReIV(CN)2 Single-Chain Magnet","Journal of the American Chemical Society","2012","134","","7521","7529","10.1021/ja301338d","","","0.71073","MoKα","","0.0644","0.0531","","","0.134","0.1425","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117871","13.743","0.0015","21.942","0.002","12.8569","0.0014","90","","107.514","0.002","90","","3697.3","0.7","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","xwfReMn2","","","- C68 H50 Cl4 F12 Mn2 N16 P2 Re -","- C68 H50 Cl4 F12 Mn2 N16 P2 Re -","- C136 H100 Cl8 F24 Mn4 N32 P4 Re2 -","2","0.5","","Xiaowen Feng; Junjie Liu; T. David Harris; Stephen Hill; Jeffrey R. Long","Slow Magnetic Relaxation Induced by a Large Transverse Zero-Field Splitting in a MnIIReIV(CN)2 Single-Chain Magnet","Journal of the American Chemical Society","2012","134","","7521","7529","10.1021/ja301338d","","","0.71073","MoKα","","0.0573","0.0366","","","0.0861","0.093","","","","","","0.999","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117872","32.2809","0.0014","7.2588","0.0003","16.0662","0.0007","90","","119.041","0.002","90","","3291.3","0.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Thi My Uyen Ton; Ciputra Tejo; Diane Ling Ying Tiong; Philip Wai Hong Chan","Copper(II) Triflate Catalyzed Amination and Aziridination of 2-Alkyl Substituted 1,3-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","7344","7350","10.1021/ja301415k","","","0.71073","MoKα","","0.0536","0.0387","","","0.1055","0.1206","","","","","","1.068","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117873","11.2244","0.0007","18.4977","0.001","8.8492","0.0006","90","","90.851","0.002","90","","1837.1","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 S -","- C17 H23 N O6 S -","- C68 H92 N4 O24 S4 -","4","1","","Thi My Uyen Ton; Ciputra Tejo; Diane Ling Ying Tiong; Philip Wai Hong Chan","Copper(II) Triflate Catalyzed Amination and Aziridination of 2-Alkyl Substituted 1,3-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","7344","7350","10.1021/ja301415k","","","0.71073","MoKα","","0.042","0.0353","","","0.0901","0.0952","","","","","","1.02","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117874","6.7873","0.0017","7.4504","0.0018","24.01","0.006","90","","90","","90","","1214.1","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cl2 N -","- C11 H15 Cl2 N -","- C44 H60 Cl8 N4 -","4","1","","Julien Lefranc; Anne M. Fournier; Gaëlle Mingat; Simon Herbert; Tommaso Marcelli; Jonathan Clayden","Intramolecular Vinylation of Secondary and Tertiary Organolithiums","Journal of the American Chemical Society","2012","134","","7286","7289","10.1021/ja301591m","","","0.71073","MoKα","","0.1401","0.0868","","","0.0879","0.1014","","","","","","0.961","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117875","8.3486","0.0007","13.2981","0.0011","21.5227","0.0017","90","","95.245","0.002","90","","2379.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 Cl3 O2 S2 -","- C29 H15 Cl3 O2 S2 -","- C116 H60 Cl12 O8 S8 -","4","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","0.71073","MoKα","","0.0335","0.0297","","","0.0754","0.0781","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117876","16.4875","0.0005","16.8851","0.0005","17.0029","0.0004","90","","90","","90","","4733.5","0.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H22 O4 -","- C34 H22 O4 -","- C272 H176 O32 -","8","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","1.54178","CuKα","","0.0899","0.0734","","","0.2573","0.2715","","","","","","1.098","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117877","9.0926","0.0002","11.5161","0.0003","12.053","0.0002","115.207","0.001","112.121","0.001","93.076","0.001","1022.78","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 O2 -","- C32 H18 O2 -","- C64 H36 O4 -","2","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","1.54178","CuKα","","0.0389","0.0366","","","0.0942","0.0965","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117878","10.0076","0.0006","11.5702","0.0006","12.292","0.001","77.346","0.003","83.505","0.003","71.613","0.005","1316.33","0.15","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H62 O6 -","- C72 H62 O6 -","- C72 H62 O6 -","1","0.5","","Anat Molad; Israel Goldberg; Arkadi Vigalok","Tubular Conjugated Polymer for Chemosensory Applications","Journal of the American Chemical Society","2012","134","","7290","7292","10.1021/ja301918f","","","0.71073","MoKα","","0.1406","0.0879","","","0.1599","0.1818","","","","","","1.103","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117879","10.3343","0.0005","19.1546","0.0009","16.1851","0.0008","90","","107.652","0.003","90","","3053","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","car01","car01","","- C63 H96 Fe2 N10 S2 -","- C63 H96 Fe2 N10 S2 -","- C126 H192 Fe4 N20 S4 -","2","0.5","","Caroline T. Saouma; Werner Kaminsky; James M. Mayer","Protonation and Concerted Proton-Electron Transfer Reactivity of a Bis-Benzimidazolate Ligated [2Fe-2S] Model for Rieske Clusters","Journal of the American Chemical Society","2012","134","","7293","7296","10.1021/ja3019324","","","0.71073","MoKα","","0.0912","0.0541","","","0.1307","0.1558","","","","","","1.063","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117880","27.303","0.009","34.268","0.009","18.17","0.005","90","","98.32","0.015","90","","16821","8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","car02b","car02b","","- C568 H912 Fe16 N104 O8 S16 -","- C568 H912 Fe16 N104 O8 S16 -","- C568 H912 Fe16 N104 O8 S16 -","1","0.125","","Caroline T. Saouma; Werner Kaminsky; James M. Mayer","Protonation and Concerted Proton-Electron Transfer Reactivity of a Bis-Benzimidazolate Ligated [2Fe-2S] Model for Rieske Clusters","Journal of the American Chemical Society","2012","134","","7293","7296","10.1021/ja3019324","","","0.71073","MoKα","","0.0944","0.0621","","","0.1607","0.2059","","","","","","1.11","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117881","9.6582","0.0004","14.7762","0.0007","9.7818","0.0004","90","","92.958","0.002","90","","1394.12","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Cl4 N3 W -","- C7 H13 Cl4 N3 W -","- C28 H52 Cl16 N12 W4 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0334","0.021","","","0.0323","0.0335","","","","","","1.462","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117882","10.9765","0.0004","14.9892","0.0006","15.2682","0.0006","90","","110.395","0.002","90","","2354.59","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl3 N2 O2 Ta -","- C22 H24 Cl3 N2 O2 Ta -","- C88 H96 Cl12 N8 O8 Ta4 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0426","0.0253","","","0.0359","0.0368","","","","","","1.892","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117883","7.289","0.0003","13.3859","0.0005","10.9809","0.0004","90","","90.292","0.001","90","","1071.39","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H16 Br2 Cl3 N2 O2 Ta -","- C16 H16 Br2 Cl3 N2 O2 Ta -","- C32 H32 Br4 Cl6 N4 O4 Ta2 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.021","0.0196","","","0.038","0.0384","","","","","","1.455","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117884","13.4839","0.0006","10.2768","0.0004","14.8254","0.0007","90","","108.079","0.002","90","","1952.95","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl3 N2 O2 Ta -","- C16 H20 Cl3 N2 O2 Ta -","- C64 H80 Cl12 N8 O8 Ta4 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0513","0.0285","","","0.0362","0.038","","","","","","1.388","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117885","7.3415","0.0004","9.2663","0.0005","16.2634","0.0008","78.39","0.003","84.353","0.003","84.864","0.002","1075.72","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N2 O2 Ta -","- C18 H24 Cl3 N2 O2 Ta -","- C36 H48 Cl6 N4 O4 Ta2 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0333","0.0237","","","0.0343","0.0354","","","","","","1.218","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117886","19.4748","0.0009","9.6654","0.0004","19.3262","0.0009","90","","93.727","0.002","90","","3630.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl3 N2 Nb O2 -","- C16 H18 Cl3 N2 Nb O2 -","- C128 H144 Cl24 N16 Nb8 O16 -","8","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0408","0.0263","","","0.0445","0.045","","","","","","2.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117887","7.3791","0.0004","8.925","0.0004","16.3801","0.0008","80.331","0.002","84.651","0.002","85.152","0.002","1056.2","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl5 N2 Nb O2 -","- C16 H18 Cl5 N2 Nb O2 -","- C32 H36 Cl10 N4 Nb2 O4 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0242","0.0203","","","0.0515","0.0518","","","","","","2.169","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117888","8.8532","0.0004","26.636","0.0013","9.448","0.0005","90","","99.838","0.002","90","","2195.21","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br2 Cl3 N2 Nb O2 -","- C16 H18 Br2 Cl3 N2 Nb O2 -","- C64 H72 Br8 Cl12 N8 Nb4 O8 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.043","0.0247","","","0.0401","0.0408","","","","","","1.445","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117889","10.9592","0.0004","14.1496","0.0005","12.5713","0.0004","90","","91.137","0.002","90","","1949.03","0.12","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C16 H20 Cl3 N2 Nb O2 -","- C16 H20 Cl3 N2 Nb O2 -","- C64 H80 Cl12 N8 Nb4 O8 -","4","2","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0353","0.029","","","0.0421","0.0427","","","","","","1.369","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117890","7.362","0.0004","9.247","0.0005","16.2248","0.001","78.177","0.003","85.22","0.003","84.498","0.003","1073.81","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 N2 Nb O2 -","- C18 H24 Cl3 N2 Nb O2 -","- C36 H48 Cl6 N4 Nb2 O4 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0306","0.0237","","","0.0556","0.056","","","","","","2.163","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117891","7.4401","0.0003","10.5793","0.0005","16.3555","0.0007","97.765","0.001","95.12","0.002","99.874","0.002","1248.3","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H28 Cl3 N2 Nb O4 -","- C21.5 H28 Cl3 N2 Nb O4 -","- C43 H56 Cl6 N4 Nb2 O8 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0401","0.0332","","","0.0624","0.0633","","","","","","2.445","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117892","7.6003","0.0004","10.5217","0.0006","11.2752","0.0006","64.736","0.002","79.53","0.002","83.34","0.002","801.09","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H18 Cl3 N2 Nb O2 -","- C11 H18 Cl3 N2 Nb O2 -","- C22 H36 Cl6 N4 Nb2 O4 -","2","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0292","0.0223","","","0.0476","0.0483","","","","","","2.009","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117893","20.6913","0.0014","12.5611","0.0008","15.4117","0.001","90","","90.294","0.004","90","","4005.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl3 N2 Nb O2 -","- C6 H16 Cl3 N2 Nb O2 -","- C72 H192 Cl36 N24 Nb12 O24 -","12","3","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0514","0.0287","","","0.0408","0.0418","","","","","","1.516","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117894","6.8865","0.0003","12.1853","0.0005","18.5285","0.0008","90","","90","","90","","1554.8","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl3 N2 Nb O2 -","- C9 H20 Cl3 N2 Nb O2 -","- C36 H80 Cl12 N8 Nb4 O8 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0427","0.0313","","","0.0417","0.0425","","","","","","1.31","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117895","11.2001","0.0003","7.35727","0.00017","24.4176","0.0005","90","","99.6203","0.0017","90","","1983.77","0.08","93.1","","93","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 Si -","- C26 H24 Si -","- C104 H96 Si4 -","4","2","","Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio","Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2012","134","17","7305","7308","10.1021/ja302278s","","","1.54187","CuKα","","","0.0491","","","","0.0725","","","","","","1.019","","","","has coordinates","219259","2020-10-21","18:00:00",""
"4117896","9.38743","0.00017","16.3753","0.0003","11.4505","0.0002","90","","100.116","0.001","90","","1732.83","0.05","93.1","","93","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H42 Cl2 Si2 -","- C40 H42 Cl2 Si2 -","- C80 H84 Cl4 Si4 -","2","1","","Shintani, Ryo; Otomo, Haruka; Ota, Kensuke; Hayashi, Tamio","Palladium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzosiloles via Enantioselective C-H Bond Functionalization","Journal of the American Chemical Society","2012","134","17","7305","7308","10.1021/ja302278s","","","1.54187","CuKα","","","0.0492","","","","0.1305","","","","","","1.081","","","","has coordinates","219259","2020-10-21","18:00:00",""
"4117897","9.1401","0.0005","8.7933","0.0004","9.4025","0.0004","90","","91.943","0.002","90","","755.26","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Cl O6 -","- C15 H15 Cl O6 -","- C30 H30 Cl2 O12 -","2","1","","Kimberly M. Steward; Emily C. Gentry; Jeffrey S. Johnson","Dynamic Kinetic Resolution of α-Keto Esters via Asymmetric Transfer Hydrogenation","Journal of the American Chemical Society","2012","134","","7329","7332","10.1021/ja3027136","","","1.54184","CuKα","","0.0256","0.0254","","","0.0608","0.0609","","","","","","1.061","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117898","6.4784","0.0003","10.9958","0.0004","14.0108","0.0005","88.3476","0.0014","88.2253","0.0014","79.8519","0.0014","981.7","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Co F4 H14 O8 V -","- Co F4 H14 O8 V -","- Co4 F16 H56 O32 V4 -","4","2","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","","0.71073","MoKα","","0.026","0.0219","","","0.0626","0.0637","","","","","","1.046","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117899","6.4359","0.0003","10.8948","0.0004","13.9323","0.0006","88.238","0.002","88.161","0.002","80.212","0.002","961.87","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- F4 H14 Ni O8 V -","- F4 H14 Ni O8 V -","- F16 H56 Ni4 O32 V4 -","4","2","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","","0.71073","MoKα","","0.033","0.0231","","","0.0545","0.0567","","","","","","0.964","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117900","15.63155","0.00015","8.22032","0.00008","7.366","0.00007","90","","90","","90","","946.504","0.016","100","2","100","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- Cu F4 H14 O8 V -","- Cu F4 H14 O8 V -","- Cu4 F16 H56 O32 V4 -","4","1","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","x-ray","0.71069","MoKα","","0.0124","0.012","","","0.0329","0.0339","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117901","6.467","0.0002","10.9809","0.0003","13.985","0.0004","88.35","0.001","88.216","0.001","79.973","0.001","977.2","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- F4 H14 O8 V Zn -","- F4 H14 O8 V Zn -","- F16 H56 O32 V4 Zn4 -","4","2","","Martin D. Donakowski; Romain Gautier; Jeongho Yeon; Donald T. Moore; Juan C. Nino; P. Shiv Halasyamani; Kenneth R. Poeppelmeier","The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures","Journal of the American Chemical Society","2012","134","","7679","7689","10.1021/ja210984k","","","0.71073","MoKα","","0.0335","0.0229","","","0.0474","0.0492","","","","","","0.949","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117902","4.6377","0.0003","8.0574","0.0006","15.4299","0.0012","90","","90","","90","","576.58","0.07","120","2","120","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H F2 K O4 -","- C4 H F2 K O4 -","- C16 H4 F8 K4 O16 -","4","0.5","","Charles L. Perrin; Phaneendrasai Karri; Curtis Moore; Arnold L. Rheingold","Hydrogen-Bond Symmetry in Difluoromaleate Monoanion","Journal of the American Chemical Society","2012","134","","7766","7772","10.1021/ja2117848","","","1.54178","CuKα","","0.0478","0.0427","","","0.112","0.1143","","","","","","1.012","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117903","3.9089","0.000005","3.9089","","13.412281","0.000025","90","","90","","90","","204.933","0.0005","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K Ni2 Se2 -","- K Ni2 Se2 -","- K2 Ni4 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.41335","synchrotron","","","","","","","","","","1.71","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117904","3.9061","0.0001","3.9061","","13.4278","0.0003","90","","90","","90","","204.876","0.007","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K0.95 Ni2 Se2 -","- K0.955 Ni1.999 Se2 -","- K1.91 Ni3.998 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.2127","synchrotron","","","","","","","","","","6.7","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117905","3.9018","0.0001","3.9018","","13.469","0.001","90","","90","","90","","205.053","0.016","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K0.9 Ni2 Se2 -","- K0.913 Ni2 Se2 -","- K1.826 Ni4 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.2127","synchrotron","","","","","","","","","","7.94","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117906","3.8922","0.0002","3.8922","","13.523","0.001","90","","90","","90","","204.863","0.018","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Nickel Selenide","Potassium Dinickel Diselenide","","- K0.8 Ni2 Se2 -","- K0.802 Ni2.001 Se2 -","- K1.604 Ni4.002 Se4 -","2","0.0625","","James R. Neilson; Tyrel M. McQueen","Bonding, Ion Mobility, and Rate-Limiting Steps in Deintercalation Reactions with ThCr2Si2-type KNi2Se2","Journal of the American Chemical Society","2012","134","","7750","7757","10.1021/ja212012k","","","0.2127","synchrotron","","","","","","","","","","7.48","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117907","9.955","0.002","10.647","0.002","11.809","0.002","99.44","0.03","102.31","0.03","112.85","0.03","1083.7","0.5","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O4 Ru -","- C24 H24 O4 Ru -","- C48 H48 O8 Ru2 -","2","1","","Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che","Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex","Journal of the American Chemical Society","2012","134","","7588","7591","10.1021/ja3006989","","","0.71073","MoKα","","0.0343","0.0291","","","0.0876","0.0919","","","","","","0.688","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117908","13.3535","0.0012","13.8763","0.0013","15.4248","0.0014","64.42","0.001","69.503","0.001","62.713","0.001","2249.5","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 Cl N O5 Ru -","- C51 H52 Cl N O5 Ru -","- C102 H104 Cl2 N2 O10 Ru2 -","2","1","","Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che","Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex","Journal of the American Chemical Society","2012","134","","7588","7591","10.1021/ja3006989","","","0.71073","MoKα","","0.0511","0.0417","","","0.1138","0.1238","","","","","","1.022","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117909","9.466","0.0019","19.36","0.004","10.995","0.002","90","","110.29","0.03","90","","1889.9","0.7","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F6 O5 Ru -","- C14 H14 F6 O5 Ru -","- C56 H56 F24 O20 Ru4 -","4","1","","Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che","Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex","Journal of the American Chemical Society","2012","134","","7588","7591","10.1021/ja3006989","","","0.71073","MoKα","","0.0659","0.055","","","0.1486","0.1563","","","","","","1","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117910","15.1733","0.0004","15.9533","0.0004","16.7953","0.0004","76.032","0.002","74.752","0.002","65.31","0.002","3523.49","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C118.5 H56 N4 Ni S Sc2 -","- C118.5 H56 N4 Ni S0.9998 Sc1.9996 -","- C237 H112 N8 Ni2 S1.9996 Sc3.9992 -","2","1","","Ning Chen; Christine M. Beavers; Marc Mulet-Gas; Antonio Rodríguez-Fortea; Elias J. Munoz; Yu-Yang Li; Marilyn M. Olmstead; Alan L. Balch; Josep M. Poblet; Luis Echegoyen","Sc2S@Cs(10528)-C72: A Dimetallic Sulfide Endohedral Fullerene with a Non Isolated Pentagon Rule Cage","Journal of the American Chemical Society","2012","134","","7851","7860","10.1021/ja300765z","","","0.7749","synchrotron","","0.0793","0.0569","","","0.1451","0.1625","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117911","11.6013","0.0008","13.9439","0.001","27.054","0.002","85.265","0.005","84.042","0.005","71.743","0.004","4127.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H113 N4 O9 Ru2 -","- C100 H113 N4 O9 Ru2 -","- C200 H226 N8 O18 Ru4 -","2","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.1553","0.1156","","","0.1515","0.1538","","","","","","2.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117912","18.4243","0.0007","17.626","0.0007","23.0612","0.001","90","","90","","90","","7489","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H50 N2 O6 Ru -","- C40 H50 N2 O6 Ru -","- C320 H400 N16 O48 Ru8 -","8","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0973","0.0405","","","0.0549","0.0571","","","","","","2.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117913","10.1016","0.0006","19.2228","0.0011","24.4253","0.0015","90","","96.785","0.004","90","","4709.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H64 N2 O5 Ru -","- C45 H64 N2 O5 Ru -","- C180 H256 N8 O20 Ru4 -","4","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0792","0.0365","","","0.0463","0.0486","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117914","29.559","0.0013","10.0593","0.0004","19.4668","0.0009","90","","123.744","0.002","90","","4813.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 Cl2 N2 O Ru -","- C27 H28 Cl2 N2 O Ru -","- C216 H224 Cl16 N16 O8 Ru8 -","8","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0556","0.0351","","","0.0531","0.0544","","","","","","1.877","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117915","6.8168","0.0013","16.553","0.004","23.215","0.004","90","","101.414","0.017","90","","2567.7","0.9","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C112 H112 O32 -","8","2","","Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail","Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors","Journal of the American Chemical Society","2012","134","","7880","7891","10.1021/ja301484b","","","0.71073","MoKα","","0.2236","0.119","","","0.2097","0.2684","","","","","","1.136","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117916","9.4781","0.0003","13.8557","0.0004","27.3763","0.0005","90","","95.713","0.005","90","","3577.35","0.17","295","2","295","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H112 N2 O12 -","- C74 H112 N2 O12 -","- C148 H224 N4 O24 -","2","0.5","","Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail","Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors","Journal of the American Chemical Society","2012","134","","7880","7891","10.1021/ja301484b","","","0.71073","MoKα","","0.1308","0.0565","","","0.1076","0.1258","","","","","","1","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117917","14.69","0.004","6.6624","0.0012","18.941","0.011","90","","96.85","0.03","90","","1840.5","1.2","200","1","200","1","","","","","","","synthesis as described","5","P 1 a 1","P -2ya","7","","","","- C32 H27 N2 O6 S12 -","- C32 H27 N2 O6 S12 -","- C64 H54 N4 O12 S24 -","2","1","","Cyprien Lemouchi; Cécile Mézière; Leokadiya Zorina; Sergey Simonov; Antonio Rodríguez-Fortea; Enric Canadell; Pawel Wzietek; Pascale Auban-Senzier; Claude Pasquier; Thierry Giamarchi; Miguel A. Garcia-Garibay; Patrick Batail","Design and Evaluation of a Crystalline Hybrid of Molecular Conductors and Molecular Rotors","Journal of the American Chemical Society","2012","134","","7880","7891","10.1021/ja301484b","","","0.71073","MoKα","","0.1161","0.0761","","","0.1787","0.1942","","","","","","1.015","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117918","9.0559","0.0014","21.526","0.003","9.1804","0.0015","90","","114.203","0.0016","90","","1632.3","0.4","243","2","243","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 N4 O12 P3 Zn -","- C6 H15 N4 O12 P3 Zn -","- C24 H60 N16 O48 P12 Zn4 -","4","1","","Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity","Journal of the American Chemical Society","2012","134","","7612","7615","10.1021/ja301875x","","","0.71075","MoKα","","0.0477","0.0401","","","0.1179","0.1263","","","","","","0.943","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117919","9.009","0.002","21.83","0.005","9.235","0.002","90","","114.064","0.003","90","","1658.4","0.6","348","2","348","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 N4 O12 P3 Zn -","- C6 H15 N4 O12 P3 Zn -","- C24 H60 N16 O48 P12 Zn4 -","4","1","","Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity","Journal of the American Chemical Society","2012","134","","7612","7615","10.1021/ja301875x","","","0.71075","MoKα","","0.1036","0.0675","","","0.1631","0.1915","","","","","","1.053","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117920","10.3706","0.0003","11.7881","0.0003","14.3895","0.0003","109.09","0.0007","102.32","0.0008","97.1448","0.0006","1587.77","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 Fe2 Ga N -","- C37 H46 Fe2 Ga N -","- C74 H92 Fe4 Ga2 N2 -","2","1","","Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller","Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations","Journal of the American Chemical Society","2012","134","","7924","7936","10.1021/ja3019274","","","1.54184","CuKα","","0.0776","0.0767","","","0.1944","0.1961","","","","","","1.046","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117921","10.7202","0.0004","17.673","0.0006","14.0352","0.0005","90","","109.973","0.001","90","","2499.15","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 Ga N -","- C24 H36 Cl2 Ga N -","- C96 H144 Cl8 Ga4 N4 -","4","1","","Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller","Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations","Journal of the American Chemical Society","2012","134","","7924","7936","10.1021/ja3019274","","","1.54184","CuKα","","0.0427","0.0424","","","0.1179","0.1182","","","","","","1.055","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117922","14.7365","0.0003","10.9109","0.0002","21.9806","0.0005","90","","101.421","0.001","90","","3464.24","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 Al Fe2 N -","- C40 H49 Al Fe2 N -","- C160 H196 Al4 Fe8 N4 -","4","1","","Bidraha Bagh; Gabriele Schatte; Jennifer C. Green; Jens Müller","Understanding the Reactivity of Strained Sandwich Compounds with Aluminum or Gallium in Bridging Positions: Experiments and DFT Calculations","Journal of the American Chemical Society","2012","134","","7924","7936","10.1021/ja3019274","","","1.54184","CuKα","","0.0772","0.066","","","0.1673","0.1799","","","","","","1.031","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117923","21.6727","0.0018","7.9317","0.0006","18.628","0.0016","90","","115.072","0.001","90","","2900.5","0.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 O6 S2 -","- C36 H28 O6 S2 -","- C144 H112 O24 S8 -","4","1","","Ken Yamashita; Yoshihiko Yamamoto; Hisao Nishiyama","Ruthenium-Catalyzed Transfer Oxygenative Cyclization of α,ω-Diynes: Unprecedented [2 + 2 + 1] Route to Bicyclic Furans via Ruthenacyclopentatriene","Journal of the American Chemical Society","2012","134","","7660","7663","10.1021/ja302868s","","","0.71073","MoKα","","0.0633","0.0459","","","0.1056","0.1135","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117924","11.6967","0.0007","17.9618","0.001","23.3919","0.0014","90","","90","","90","","4914.5","0.5","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H56 B F4 Ir N O2 P -","- C59 H56 B F4 Ir N O2 P -","- C236 H224 B4 F16 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0467","0.0344","","","0.0627","0.0664","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117925","11.8217","0.0004","17.9236","0.0006","23.4719","0.0009","90","","90","","90","","4973.4","0.3","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H54 B F6 Ir N O2 P -","- C59 H54 B F6 Ir N O2 P -","- C236 H216 B4 F24 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0737","0.0436","","","0.0694","0.0776","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117926","11.7247","0.0004","17.6448","0.0006","23.93","0.0008","90","","90","","90","","4950.6","0.3","193","2","193","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 B Br F4 Ir N O2 P -","- C59 H55 B Br F4 Ir N O2 P -","- C236 H220 B4 Br4 F16 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0432","0.0316","","","0.0662","0.0703","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117927","26.0148","0.0012","26.0148","0.0012","43.71","0.004","90","","90","","90","","29582","3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Ni24 O126 S24 -","- C312 H288 Ni24 O126 S24 -","- C624 H576 Ni48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.1226","0.104","","","0.3171","0.3438","","","","","","1.04","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117928","26.1192","0.0014","26.1192","0.0014","43.919","0.005","90","","90","","90","","29962","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Co24 O126 S24 -","- C312 H288 Co24 O126 S24 -","- C624 H576 Co48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0905","0.0749","","","0.2303","0.2475","","","","","","0.992","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117929","26.1265","0.0012","26.1265","0.0012","43.923","0.004","90","","90","","90","","29982","3","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O126 S24 -","- C312 H288 Mg24 O126 S24 -","- C624 H576 Mg48 O252 S48 -","2","0.125","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0871","0.0807","","","0.2982","0.3097","","","","","","1.111","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117930","25.5358","0.001","25.5358","0.001","60.059","0.005","90","","90","","120","","33916","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H108 Ni24 O126 S24 -","- C216 H96 Ni24 O126 S24 -","- C648 H288 Ni72 O378 S72 -","3","0.166667","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0786","0.0663","","","0.2154","0.2254","","","","","","1.019","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117931","25.7198","0.0007","25.7198","0.0007","60.934","0.003","90","","90","","120","","34908","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H156 Co24 O126 S24 -","- C216 H144 Co24 O126 S24 -","- C648 H432 Co72 O378 S72 -","3","0.166667","","Feng-Rong Dai; Zhenqiang Wang","Modular Assembly of Metal-Organic Supercontainers Incorporating Sulfonylcalixarenes","Journal of the American Chemical Society","2012","134","","8002","8005","10.1021/ja300095j","","","0.71073","MoKα","","0.0466","0.039","","","0.1146","0.1176","","","","","","1.139","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117932","10.2222","0.0004","12.2208","0.0005","13.5228","0.0005","101.287","0.0005","110.519","0.0005","111.563","0.0004","1365.44","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H80 Cl2 N4 Rh2 -","- C58 H80 Cl2 N4 Rh2 -","- C58 H80 Cl2 N4 Rh2 -","1","0.5","","Andrea Di Giuseppe; Ricardo Castarlenas; Jesús J. Pérez-Torrente; Marcello Crucianelli; Victor Polo; Rodrigo Sancho; Fernando J. Lahoz; Luis A. Oro","Ligand-Controlled Regioselectivity in the Hydrothiolation of Alkynes by Rhodium N-Heterocyclic Carbene Catalysts","Journal of the American Chemical Society","2012","134","","8171","8183","10.1021/ja300396h","","","0.71073","MoKα","","0.0227","0.0216","","","0.0553","0.056","","","","","","1.035","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117933","10.374","0.003","10.874","0.003","17.559","0.004","85.301","0.003","75.467","0.003","72.538","0.003","1829","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 Cl N3 Rh -","- C40 H55 Cl N3 Rh -","- C80 H110 Cl2 N6 Rh2 -","2","1","","Andrea Di Giuseppe; Ricardo Castarlenas; Jesús J. Pérez-Torrente; Marcello Crucianelli; Victor Polo; Rodrigo Sancho; Fernando J. Lahoz; Luis A. Oro","Ligand-Controlled Regioselectivity in the Hydrothiolation of Alkynes by Rhodium N-Heterocyclic Carbene Catalysts","Journal of the American Chemical Society","2012","134","","8171","8183","10.1021/ja300396h","","","0.71073","MoKα","","0.0893","0.0571","","","0.1263","0.1372","","","","","","1.003","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117934","16.1343","0.0015","16.1343","0.0015","16.1343","0.0015","90","","90","","90","","4200","0.7","100","2","100","2","","","","","","","","4","P 4 3 2","P 4 2 3","207","","","","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","1","0.0416667","","Xiao-Ping Zhou; Jie Liu; Shun-Ze Zhan; Ju-Rong Yang; Dan Li; Kwan-Ming Ng; Raymond Wai-Yin Sun; Chi-Ming Che","A High-Symmetry Coordination Cage from 38- or 62-Component Self-Assembly","Journal of the American Chemical Society","2012","134","","8042","8045","10.1021/ja302142c","","","1.5418","CuKα","","0.1639","0.0958","","","0.221","0.2567","","","","","","0.913","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117935","16.2323","0.0005","16.2323","0.0005","16.2323","0.0005","90","","90","","90","","4277","0.2","293","2","293","2","","","","","","","","4","P 4 3 2","P 4 2 3","207","","","","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","- C120 H144 N72 Ni14 -","1","0.0416667","","Xiao-Ping Zhou; Jie Liu; Shun-Ze Zhan; Ju-Rong Yang; Dan Li; Kwan-Ming Ng; Raymond Wai-Yin Sun; Chi-Ming Che","A High-Symmetry Coordination Cage from 38- or 62-Component Self-Assembly","Journal of the American Chemical Society","2012","134","","8042","8045","10.1021/ja302142c","","","1.5418","CuKα","","0.1586","0.105","","","0.25","0.2838","","","","","","0.996","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117936","14.43","0.003","40.91","0.009","30.645","0.006","90","","101.996","0.003","90","","17696","6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132 H172 Cd4 N12 Ni4 O32 -","- C132 H162 Cd4 N12 Ni4 O32 -","- C528 H648 Cd16 N48 Ni16 O128 -","4","1","","Chengfeng Zhu; Guozan Yuan; Xu Chen; Zhiwei Yang; Yong Cui","Chiral Nanoporous Metal-Metallosalen Frameworks for Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2012","134","","8058","8061","10.1021/ja302340b","","","0.71073","MoKα","","0.1838","0.1072","","","0.2559","0.3104","","","","","","0.996","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117937","14.2697","0.0009","40.363","0.003","30.931","0.002","90","","102.623","0.005","90","","17385","2","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C140 H176 Cd4 Co4 N12 O36 -","- C140 H157 Cd4 Co4 N12 O36 -","- C560 H628 Cd16 Co16 N48 O144 -","4","1","","Chengfeng Zhu; Guozan Yuan; Xu Chen; Zhiwei Yang; Yong Cui","Chiral Nanoporous Metal-Metallosalen Frameworks for Hydrolytic Kinetic Resolution of Epoxides","Journal of the American Chemical Society","2012","134","","8058","8061","10.1021/ja302340b","","","1.54178","CuKα","","0.1459","0.1294","","","0.3254","0.3375","","","","","","1.065","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117938","9.3676","0.0008","10.5455","0.0009","13.8622","0.0011","88.235","0.002","72.615","0.002","63.819","0.002","1164.57","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H39 N O -","- C28 H38.66 N O -","- C56 H77.32 N2 O2 -","2","1","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0566","0.0478","","","0.1314","0.1401","","","","","","1.022","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117939","8.0406","0.001","9.7562","0.0012","17.27","0.002","91.331","0.002","94.771","0.002","90.583","0.002","1349.6","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 N O4 S -","- C32 H37 N O4 S -","- C64 H74 N2 O8 S2 -","2","1","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0613","0.0406","","","0.1118","0.1375","","","","","","0.874","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117940","8.9538","0.0007","22.0679","0.0017","26.333","0.002","90","","90","","90","","5203.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 S -","- C30 H33 N O4 S -","- C240 H264 N8 O32 S8 -","8","2","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0804","0.0564","","","0.1091","0.1183","","","","","","1.058","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117941","13.4405","0.0014","8.5144","0.0009","22.05","0.002","90","","94.138","0.002","90","","2516.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N O4 S -","- C30 H31 N O4 S -","- C120 H124 N4 O16 S4 -","4","1","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.1387","0.0714","","","0.1428","0.1673","","","","","","1.027","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117942","9.0959","0.0004","16.5417","0.0007","18.7217","0.0008","90","","90","","90","","2816.9","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 Br3 N4 O -","- C33 H25 Br3 N4 O -","- C132 H100 Br12 N16 O4 -","4","1","","Daniel A. DiRocco; Tomislav Rovis","Catalytic Asymmetric α-Acylation of Tertiary Amines Mediated by a Dual Catalysis Mode: N-Heterocyclic Carbene and Photoredox Catalysis","Journal of the American Chemical Society","2012","134","","8094","8097","10.1021/ja3030164","","","0.71073","MoKα","","0.0663","0.0388","","","0.085","0.1144","","","","","","1.087","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117943","10.6294","0.0003","14.2671","0.0004","23.8757","0.0007","90","","102.499","0.0012","90","","3534.95","0.18","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 B Br I2 N4 -","- C38 H34 B Br I2 N4 -","- C152 H136 B4 Br4 I8 N16 -","4","1","","Sebastian M. Walter; Florian Kniep; Laxmidhar Rout; Franz P. Schmidtchen; Eberhardt Herdtweck; Stefan M. Huber","Isothermal Calorimetric Titrations on Charge-Assisted Halogen Bonds: Role of Entropy, Counterions, Solvent, and Temperature","Journal of the American Chemical Society","2012","134","","8507","8512","10.1021/ja2119207","","","0.71073","MoKα","","0.0159","0.015","","","0.0383","0.0389","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117944","9.9349","0.0006","10.7892","0.0007","13.8083","0.001","80.842","0.003","76.789","0.003","89.087","0.003","1422.25","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O2 -","- C14 H22 N2 O2 -","- C56 H88 N8 O8 -","4","2","","Lucie Routaboul; Pierre Braunstein; Jie Xiao; Zhengzheng Zhang; Peter A. Dowben; Guillaume Dalmas; Victor Da Costa; Olivier Félix; Gero Decher; Luis G. Rosa; Bernard Doudin","Altering the Static Dipole on Surfaces through Chemistry: Molecular Films of Zwitterionic Quinonoids","Journal of the American Chemical Society","2012","134","","8494","8506","10.1021/ja212104b","","x-ray","0.71073","MoKα","","0.1266","0.0595","","","0.1369","0.1746","","","","","","0.991","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117945","5.4005","0.0003","9.7681","0.0006","14.5879","0.001","108.01","0.003","96.889","0.004","90.574","0.004","725.66","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C28 H44 N4 O8 -","2","1","","Lucie Routaboul; Pierre Braunstein; Jie Xiao; Zhengzheng Zhang; Peter A. Dowben; Guillaume Dalmas; Victor Da Costa; Olivier Félix; Gero Decher; Luis G. Rosa; Bernard Doudin","Altering the Static Dipole on Surfaces through Chemistry: Molecular Films of Zwitterionic Quinonoids","Journal of the American Chemical Society","2012","134","","8494","8506","10.1021/ja212104b","","","0.71073","MoKα","","0.081","0.0561","","","0.1576","0.19","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117946","5.3008","0.0004","9.8123","0.0007","15.3621","0.0009","104.132","0.004","91.046","0.003","94.447","0.004","771.94","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N2 O2 S2 -","- C14 H22 N2 O2 S2 -","- C28 H44 N4 O4 S4 -","2","1","","Lucie Routaboul; Pierre Braunstein; Jie Xiao; Zhengzheng Zhang; Peter A. Dowben; Guillaume Dalmas; Victor Da Costa; Olivier Félix; Gero Decher; Luis G. Rosa; Bernard Doudin","Altering the Static Dipole on Surfaces through Chemistry: Molecular Films of Zwitterionic Quinonoids","Journal of the American Chemical Society","2012","134","","8494","8506","10.1021/ja212104b","","x-ray","0.71073","MoKα","","0.0919","0.0671","","","0.1766","0.1873","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117947","8.0084","0.0003","21.0943","0.0008","11.4508","0.0004","90","","100.991","0.002","90","","1898.92","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H12 F20 Fe N6 O4 -","- C38 H12 F20 Fe N6 O4 -","- C76 H24 F40 Fe2 N12 O8 -","2","0.5","","Michael J. Rose; Harry B. Gray; Jay R. Winkler","Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials","Journal of the American Chemical Society","2012","134","","8310","8313","10.1021/ja300534r","","","0.71073","MoKα","","0.0568","0.0416","","","0.0527","0.0534","","","","","","2.186","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117948","9.0623","0.0004","13.586","0.0006","18.751","0.0009","100.956","0.002","96.719","0.003","94.164","0.003","2240.31","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H11.31 B1.69 Cl3 F23.4 Fe N6 O4 -","- C39 H11.2908 B1.7092 Cl3 F23.4184 Fe N6 O4 -","- C78 H22.5816 B3.4184 Cl6 F46.8368 Fe2 N12 O8 -","2","1","","Michael J. Rose; Harry B. Gray; Jay R. Winkler","Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials","Journal of the American Chemical Society","2012","134","","8310","8313","10.1021/ja300534r","","","0.71073","MoKα","","0.0623","0.0425","","","0.0521","0.0528","","","","","","2.168","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117949","9.0321","0.0004","30.6711","0.0013","15.7862","0.0007","90","","95.441","0.003","90","","4353.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H11 B1.3 Cl3 F22.62 Fe N6 O4 -","- C39 H11 B1.317 Cl3 F22.634 Fe N6 O4 -","- C156 H44 B5.268 Cl12 F90.536 Fe4 N24 O16 -","4","1","","Michael J. Rose; Harry B. Gray; Jay R. Winkler","Hydrogen Generation Catalyzed by Fluorinated Diglyoxime-Iron Complexes at Low Overpotentials","Journal of the American Chemical Society","2012","134","","8310","8313","10.1021/ja300534r","","","0.71073","MoKα","","0.0811","0.0666","","","0.1137","0.1147","","","","","","3.1","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4117950","8.3759","0.0002","21.409","0.0005","12.8492","0.0003","90","","107.149","0.003","90","","2201.68","0.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H66 Cu2 F12 N6 O4 Sb2 -","- C28 H66 Cu2 F12 N6 O4 Sb2 -","- C56 H132 Cu4 F24 N12 O8 Sb4 -","2","0.5","","Ga Young Park; Munzarin F. Qayyum; Julia Woertink; Keith O. Hodgson; Britt Hedman; Amy A. Narducci Sarjeant; Edward I. Solomon; Kenneth D. Karlin","Geometric and Electronic Structure of [{Cu(MeAN)}2(μ-η2:η2(O22-))]2+ with an Unusually Long O-O Bond: O-O Bond Weakening vs Activation for Reductive Cleavage","Journal of the American Chemical Society","2012","134","","8513","8524","10.1021/ja300674m","","","0.71073","MoKα","","0.0554","0.0405","","","0.0862","0.0929","","","","","","1.145","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117951","19.6334","0.0013","38.328","0.003","35.902","0.002","90","","99.977","0.002","90","","26608","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2c","","","- C188 H216 Mo N36 O23 Zn4 -","- C188 H216 Mo N36 O23 Zn4 -","- C752 H864 Mo4 N144 O92 Zn16 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.1398","0.1004","","","0.2753","0.2998","","","","","","0.987","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117952","27.4685","0.0019","27.4685","0.0019","19.581","0.003","90","","90","","120","","12795","2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","1a","","","- C138 H120 N36 Ni4 O10 S -","- C138 H120 N36 Ni4 O10 S -","- C414 H360 N108 Ni12 O30 S3 -","3","0.333333","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.0611","0.0491","","","0.1113","0.1171","","","","","","0.966","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117953","27.5237","0.0012","27.5237","0.0012","19.5581","0.0018","90","","90","","120","","12831.3","1.4","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","1b","","","- C138 H120 N39 Ni4 O38 P -","- C138 H120 N39 Ni4 O38 P -","- C414 H360 N117 Ni12 O114 P3 -","3","0.333333","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.132","0.1131","","","0.2811","0.3016","","","","","","1.263","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117954","19.6077","0.001","38.301","0.002","35.8262","0.0019","90","","99.45","0.001","90","","26540","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2a","","","- C192 H216 N39 O76 S Zn4 -","- C192 H216 N39 O76 S Zn4 -","- C768 H864 N156 O304 S4 Zn16 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.1486","0.1086","","","0.3066","0.3335","","","","","","1.141","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117955","19.6631","0.0012","38.377","0.002","36.123","0.002","90","","100.995","0.001","90","","26758","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2b","","","- C189 H216 Cr N36 O29 Zn4 -","- C189 H216 Cr N36 O29 Zn4 -","- C756 H864 Cr4 N144 O116 Zn16 -","4","1","","Radu Custelcean; Peter V. Bonnesen; Nathan C. Duncan; Xiaohua Zhang; Lori A. Watson; Gary Van Berkel; Whitney B. Parson; Benjamin P. Hay","Urea-Functionalized M4L6 Cage Receptors: Anion-Templated Self-Assembly and Selective Guest Exchange in Aqueous Solutions","Journal of the American Chemical Society","2012","134","","8525","8534","10.1021/ja300677w","","","0.71073","MoKα","","0.1491","0.1067","","","0.3006","0.3247","","","","","","1.068","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117956","10.3495","0.0011","4.7632","0.0005","17.684","0.002","90","","90","","90","","871.76","0.16","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs4 I12 Sn4 -","4","0.5","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0421","0.0288","","","0.0536","0.0563","","","","","","1.049","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117957","6.2057","0.0007","6.2057","0.0007","6.2057","0.0007","90","","90","","90","","238.99","0.05","500","2","500","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs I3 Sn -","1","0.0208333","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0345","0.0289","","","0.069","0.0707","","","","","","1.171","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117958","8.7182","0.0008","8.7182","0.0008","6.1908","0.0006","90","","90","","90","","470.54","0.08","380","2","380","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs2 I6 Sn2 -","2","0.125","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0822","0.0656","","","0.152","0.1599","","","","","","1.128","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117959","8.6885","0.0005","12.3775","0.0004","8.6384","0.0006","90","","90","","90","","928.99","0.09","300","2","300","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs I3 Sn -","- Cs I3 Sn -","- Cs4 I12 Sn4 -","4","0.5","","In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis","CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions","Journal of the American Chemical Society","2012","134","","8579","8587","10.1021/ja301539s","","","0.71073","MoKα","","0.0553","0.0431","","","0.0954","0.0991","","","","","","1.192","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117960","45.7446","0.0011","31.0966","0.0005","45.7325","0.0011","90","","92.945","0.002","90","","64969","2","100","2","100","1","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25 -","- C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25 -","- C1970 H1344 Eu56 F150 N288 O438 S50 -","8","2","","Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti","Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel","Journal of the American Chemical Society","2012","134","","8372","8375","10.1021/ja3020814","","","0.70093","synchrotron","","0.1119","0.0975","","","0.2698","0.2913","","","","","","1.013","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117961","17.3261","0.0002","32.2069","0.0003","32.3667","0.0003","90","","90","","90","","18061.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42.88 H35.5 Eu F3 N6 O10.88 S -","- C42.875 H35.5 Eu F3 N6 O10.875 S -","- C686 H568 Eu16 F48 N96 O174 S16 -","16","4","","Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti","Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel","Journal of the American Chemical Society","2012","134","","8372","8375","10.1021/ja3020814","","","0.71073","MoKα","","0.0969","0.0439","","","0.0769","0.0833","","","","","","0.776","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117962","11.7144","0.0012","8.8267","0.001","20.144","0.003","90","","101.94","0.005","90","","2037.8","0.4","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H21 Br F3 N O3 -","- C20 H21 Br F3 N O3 -","- C80 H84 Br4 F12 N4 O12 -","4","2","","Jeffrey S. Arnold; Hien M. Nguyen","Rhodium-Catalyzed Dynamic Kinetic Asymmetric Transformations of Racemic Tertiary Allylic Trichloroacetimidates with Anilines","Journal of the American Chemical Society","2012","134","","8380","8383","10.1021/ja302223p","","","0.71073","MoKα","","0.0472","0.0344","","","0.0744","0.0795","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117963","36.5619","0.001","17.2565","0.0006","32.5545","0.0014","90","","120.74","0.001","90","","17653.7","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82.5 H107.5 N10 O21.5 -","- C82.5 H99.5 N10 O21.5 -","- C660 H796 N80 O172 -","8","1","","Xiao-Bo Hu; Zhenxia Chen; Gangfeng Tang; Jun-Li Hou; Zhan-Ting Li","Single-Molecular Artificial Transmembrane Water Channels","Journal of the American Chemical Society","2012","134","","8384","8387","10.1021/ja302292c","","","1.54178","CuKα","","0.1678","0.1368","","","0.3794","0.4156","","","","","","1.804","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117964","40.537","0.003","10.192","0.0008","18.2312","0.0013","90","","95.188","0.002","90","","7501.4","1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H52 Cd3 Cu N6 O16 -","- C52 H52 Cd3 Cu N6 O16 -","- C208 H208 Cd12 Cu4 N24 O64 -","4","1","","Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen","Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules","Journal of the American Chemical Society","2012","134","","8703","8710","10.1021/ja302380x","","","0.71073","MoKα","","0.0891","0.0673","","","0.1795","0.1965","","","","","","1.024","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117965","10.3562","0.0003","17.8979","0.0005","44.1383","0.0014","90","","90","","90","","8181.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H94 Cd3 Cu N11 O21 -","- C71 H94 Cd3 Cu N11 O21 -","- C284 H376 Cd12 Cu4 N44 O84 -","4","1","","Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen","Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules","Journal of the American Chemical Society","2012","134","","8703","8710","10.1021/ja302380x","","","0.71073","MoKα","","0.0631","0.0457","","","0.1127","0.1234","","","","","","1.02","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117966","3.3717","0.00018","3.3717","","5.3855","0.0007","90","","90","","120","","53.022","0.007","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Mn O -","- Mn O -","- Mn2 O2 -","2","0.166667","","Ki Min Nam; Yong-Il Kim; Younghun Jo; Seung Mi Lee; Bog G. Kim; Ran Choi; Sang-Il Choi; Hyunjoon Song; Joon T. Park","New Crystal Structure: Synthesis and Characterization of Hexagonal Wurtzite MnO","Journal of the American Chemical Society","2012","134","","8392","8395","10.1021/ja302440y","powder diffraction","","","","","","","","","","","","","1.18","","","","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117967","12.1787","0.0004","13.9544","0.0005","20.7259","0.0007","80.666","0.003","83.051","0.003","81.95","0.003","3424","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C65 H90 O10 -","- C65 H90 O10 -","- C130 H180 O20 -","2","1","","Guocan Yu; Chengyou Han; Zibin Zhang; Jianzhuang Chen; Xuzhou Yan; Bo Zheng; Shiyong Liu; Feihe Huang","Pillar[6]arene-Based Photoresponsive Host-Guest Complexation","Journal of the American Chemical Society","2012","134","","8711","8717","10.1021/ja302998q","","","1.54184","CuKα","","0.0932","0.0815","","","0.2547","0.2714","","","","","","1.054","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117968","13.2244","0.001","13.7845","0.001","23.3051","0.0012","89.203","0.005","79.553","0.005","76.373","0.006","4058.5","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C78 H108 O12 -","- C78 H108 O12 -","- C156 H216 O24 -","2","1","","Guocan Yu; Chengyou Han; Zibin Zhang; Jianzhuang Chen; Xuzhou Yan; Bo Zheng; Shiyong Liu; Feihe Huang","Pillar[6]arene-Based Photoresponsive Host-Guest Complexation","Journal of the American Chemical Society","2012","134","","8711","8717","10.1021/ja302998q","","","1.54184","CuKα","","0.1758","0.14","","","0.3813","0.4244","","","","","","1.45","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117969","8.2014","0.0005","22.2986","0.0013","28.7001","0.0017","90","","90","","90","","5248.7","0.5","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Ho Si3 -","- C24 H39 Ho Si3 -","- C192 H312 Ho8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.022","0.0176","","","0.0435","0.0457","","","","","","1.047","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117970","11.2526","0.0015","16.943","0.002","22.475","0.003","90","","90","","90","","4284.9","1","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 Ho K O6 Si3 -","- C36 H63 Ho K O6 Si3 -","- C144 H252 Ho4 K4 O24 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0432","0.0378","","","0.0657","0.067","","","","","","1.134","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117971","11.2622","0.0006","16.9412","0.001","22.451","0.0013","90","","90","","90","","4283.5","0.4","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 Er K O6 Si3 -","- C36 H63 Er K O6 Si3 -","- C144 H252 Er4 K4 O24 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0157","0.015","","","0.0352","0.0355","","","","","","1.039","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117972","8.1874","0.0004","22.3083","0.0012","28.5628","0.0015","90","","90","","90","","5216.9","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Er Si3 -","- C24 H39 Er Si3 -","- C192 H312 Er8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0309","0.0231","","","0.047","0.0494","","","","","","1.092","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117973","6.04693","0.00004","7.43176","0.00006","33.64396","0.0002","90","","90","","90","","1511.94","0.018","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54184","CuKα","","0.0284","0.0279","","","0.0723","0.0726","","","","","","1.034","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117974","9.2488","0.0001","5.6157","0.0001","18.4938","0.0003","90","","103.113","0.001","90","","935.49","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O -","- C25 H23 N O -","- C50 H46 N2 O2 -","2","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0273","0.0269","","","0.0732","0.0737","","","","","","1.059","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117975","6.16","0.00003","14.96421","0.0001","7.96235","0.00005","90","","90.1372","0.0005","90","","733.964","0.008","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O -","- C19 H19 N O -","- C38 H38 N2 O2 -","2","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54184","CuKα","","0.0236","0.0235","","","0.0628","0.0628","","","","","","1.042","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117976","24.3724","0.0003","5.7222","0.0001","24.8875","0.0004","90","","104.722","0.002","90","","3356.96","0.09","120","2","120","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F3 N O -","- C20 H18 F3 N O -","- C160 H144 F24 N8 O8 -","8","2","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0393","0.0387","","","0.1053","0.1061","","","","","","1.064","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117977","7.4375","0.0001","14.1636","0.0001","16.3831","0.0001","90","","90","","90","","1725.82","0.03","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C80 H76 N4 O8 S4 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0212","0.0212","","","0.0586","0.0587","","","","","","1.058","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117978","6.5739","0.0001","13.1819","0.0001","18.6778","0.0001","90","","90","","90","","1618.55","0.03","150","","150","","","","","","","","Aakarsh Saxena and Hon Lam sample BC77E","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0233","0.023","","0.0456","0.0455","0.0456","","","","","","0.9967","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117979","9.6783","0.001","7.2752","0.0007","10.8776","0.0012","90","","108.221","0.007","90","","727.5","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 B O2 -","- C15 H27 B O2 -","- C30 H54 B2 O4 -","2","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","1.54178","CuKα","","0.0549","0.0538","","","0.1455","0.1473","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117980","7.5496","0.0002","11.4129","0.0003","17.1245","0.0004","90","","90","","90","","1475.5","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B O2 -","- C15 H27 B O2 -","- C60 H108 B4 O8 -","4","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","1.54178","CuKα","","0.0389","0.0388","","","0.1012","0.1013","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117981","9.7979","0.0009","5.9478","0.0005","13.9756","0.0012","90","","94.997","0.001","90","","811.35","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 I O2 -","- C16 H27 I O2 -","- C32 H54 I2 O4 -","2","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","0.71073","MoKα","","0.0204","0.019","","","0.0463","0.0473","","","","","","1.016","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117982","7.7437","0.0008","10.4774","0.0011","9.3702","0.001","90","","94.759","0.004","90","","757.62","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","RJPC115","toste62","","- C19 H18 F N O -","- C19 H18 F N O -","- C38 H36 F2 N2 O2 -","2","1","","Robert J. Phipps; Kenichi Hiramatsu; F. Dean Toste","Asymmetric Fluorination of Enamides: Access to α-Fluoroimines Using an Anionic Chiral Phase-Transfer Catalyst","Journal of the American Chemical Society","2012","134","","8376","8379","10.1021/ja303959p","","","1.54178","CuKα","","0.0272","0.0271","","","0.0726","0.0726","","","","","","1.065","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117983","8.1004","0.0003","9.5201","0.0003","18.1022","0.0007","78.606","0.002","77.336","0.003","77.1","0.002","1311.34","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H36 B N7 O Pt -","- C25 H36 B N7 O Pt -","- C50 H72 B2 N14 O2 Pt2 -","2","1","","Bryan E. Frauhiger; Matthew T. Ondisco; Peter S. White; Joseph L. Templeton","Seeking a Mechanistic Analogue of the Water-Gas Shift Reaction: Carboxamido Ligand Formation and Isocyanate Elimination from Complexes Containing the Tp'PtMe Fragment","Journal of the American Chemical Society","2012","134","","8902","8910","10.1021/ja301213j","","","1.54178","CuKα","","0.043","0.0403","","","0.1038","0.1051","","","","","","1.198","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117984","38.622","0.003","14.0053","0.0008","30.3354","0.0019","90","","97.022","0.002","90","","16285.7","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H194 N4 O56 Ti17 -","- C134 H194 N4 O56 Ti17 -","- C536 H776 N16 O224 Ti68 -","4","0.5","","Robert C. Snoeberger; Karin J. Young; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Gary W. Brudvig; Philip Coppens; Victor, S. Batista; Jason B. Benedict","Interfacial Electron Transfer into Functionalized Crystalline Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","8911","8917","10.1021/ja301238t","","","0.71073","MoKα","","0.0657","0.0386","","","0.0913","0.1064","","","","","","1.056","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117985","12.40931","0.00014","14.52864","0.00016","27.6028","0.0003","90","","90","","90","","4976.52","0.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B F4 Fe N5 S -","- C26 H24 B F4 Fe N5 S -","- C208 H192 B8 F32 Fe8 N40 S8 -","8","1","","Alison C. McQuilken; Yunbo Jiang; Maxime A. Siegler; David P. Goldberg","Addition of Dioxygen to an N4S(thiolate) Iron(II) Cysteine Dioxygenase Model Gives a Structurally Characterized Sulfinato-Iron(II) Complex","Journal of the American Chemical Society","2012","134","","8758","8761","10.1021/ja302112y","","","0.71073","MoKα","","0.0355","0.0297","","","0.0739","0.077","","","","","","1.051","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117986","9.3797","0.0003","18.0863","0.0005","15.6327","0.0004","90","","95.97","0.002","90","","2637.61","0.13","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Fe N5 O2 S2 -","- C25 H21 Fe N5 O2 S2 -","- C100 H84 Fe4 N20 O8 S8 -","4","1","","Alison C. McQuilken; Yunbo Jiang; Maxime A. Siegler; David P. Goldberg","Addition of Dioxygen to an N4S(thiolate) Iron(II) Cysteine Dioxygenase Model Gives a Structurally Characterized Sulfinato-Iron(II) Complex","Journal of the American Chemical Society","2012","134","","8758","8761","10.1021/ja302112y","","","0.71073","MoKα","","0.0673","0.0488","","","0.122","0.1284","","","","","","1.046","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117987","12.0642","0.0012","14.1822","0.0014","19.0245","0.0019","85.522","0.002","77.811","0.002","80.666","0.002","3136.3","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H42 B Cu F24 N4 -","- C64 H42 B Cu F24 N4 -","- C128 H84 B2 Cu2 F48 N8 -","2","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0665","0.0426","","","0.1008","0.1167","","","","","","0.99","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117988","24.361","0.002","20.0178","0.0019","25.469","0.002","90","","106.88","0.002","90","","11884.9","1.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C488 H360 B8 Cu8 F192 N24 -","8","2","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.1036","0.0472","","","0.0903","0.1161","","","","","","1.038","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117989","14.606","0.004","18.18","0.005","44.321","0.012","90","","90","","90","","11769","6","123","2","123","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C488 H360 B8 Cu8 F192 N24 -","8","0.5","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.1341","0.0609","","","0.1449","0.1997","","","","","","1.148","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117990","10.472","0.005","16.133","0.005","34.264","0.005","90","0.005","95.026","0.005","90","0.005","5766","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H45 B Cu F24 N3 -","- C61 H45 B Cu F24 N3 -","- C244 H180 B4 Cu4 F96 N12 -","4","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71069","MoKα","","0.0731","0.0429","","","0.1006","0.1217","","","","","","1.043","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117991","14.4511","0.0016","14.9083","0.0017","15.8106","0.0018","103.855","0.002","91.899","0.002","105.897","0.002","3162.8","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H104 B2 Cu2 F48 N8 -","- C124 H104 B2 Cu2 F48 N8 -","- C124 H104 B2 Cu2 F48 N8 -","1","0.5","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0629","0.0445","","","0.1059","0.1183","","","","","","1.018","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117992","10.081","0.001","11.1274","0.0011","19.0831","0.0019","90","","93.183","0.001","90","","2137.4","0.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H21 B Cu F4 N3 -","- C23 H21 B Cu F4 N3 -","- C92 H84 B4 Cu4 F16 N12 -","4","1","","Conor S. Smith; Kent R. Mann","Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing","Journal of the American Chemical Society","2012","134","","8786","8789","10.1021/ja302807s","","","0.71073","MoKα","","0.0565","0.049","","","0.1242","0.1291","","","","","","1.091","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117993","13.2065","0.0015","11.7609","0.0013","13.2632","0.0015","90","","119.393","0.002","90","","1794.9","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H26 Cl N O2 S -","- C16 H26 Cl N O2 S -","- C64 H104 Cl4 N4 O8 S4 -","4","2","","Kohsuke Ohmatsu; Yuta Hamajima; Takashi Ooi","Catalytic Asymmetric Ring Openings of Meso and Terminal Aziridines with Halides Mediated by Chiral 1,2,3-Triazolium Silicates","Journal of the American Chemical Society","2012","134","","8794","8797","10.1021/ja3028668","","","0.71073","MoKα","","0.0555","0.0539","","","0.1502","0.1519","","","","","","1.024","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117994","7.587","0.0001","11.3799","0.0002","12.9699","0.0002","71.545","0.001","83.927","0.001","76.973","0.001","1034.17","0.03","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Mattson 1866","","","- C21 H14 B F8 N3 O3 -","- C21 H14 B F8 N3 O3 -","- C42 H28 B2 F16 N6 O6 -","2","1","","Sonia S. So; Anita E. Mattson","Urea Activation of α-Nitrodiazoesters: An Organocatalytic Approach to N-H Insertion Reactions","Journal of the American Chemical Society","2012","134","","8798","8801","10.1021/ja3031054","","x-ray","0.71073","MoKα","","0.0595","0.0397","","","0.0965","0.1068","","","","","","1.058","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117995","11.515","0.004","19.977","0.007","15.19","0.005","90","","105.728","0.005","90","","3363","2","103.15","","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 F6 N O2 P2 Pd Sb -","- C28 H44 F6 N O2 P2 Pd Sb -","- C112 H176 F24 N4 O8 P8 Pd4 Sb4 -","4","1","","Brad P. Carrow; Kyoko Nozaki","Synthesis of Functional Polyolefins Using Cationic Bisphosphine Monoxide-Palladium Complexes","Journal of the American Chemical Society","2012","134","","8802","8805","10.1021/ja303507t","","","0.71075","MoKα","","0.0679","0.0596","","","0.1494","0.1608","","","","","","1.18","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117996","10.277","0.003","18.368","0.006","17.318","0.005","90","","92.988","0.005","90","","3264.6","1.7","103.15","","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H41 Cl7 O P2 Pd -","- C23 H41 Cl7 O P2 Pd -","- C92 H164 Cl28 O4 P8 Pd4 -","4","1","","Brad P. Carrow; Kyoko Nozaki","Synthesis of Functional Polyolefins Using Cationic Bisphosphine Monoxide-Palladium Complexes","Journal of the American Chemical Society","2012","134","","8802","8805","10.1021/ja303507t","","","0.71075","MoKα","","0.0463","0.0427","","","0.111","0.1147","","","","","","1.063","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117997","18.2294","0.0004","18.2294","0.0004","7.0465","0.0003","90","","90","","90","","2341.63","0.12","110","2","110","2","","","","","","","","4","I 41","I 4bw","80","","","","- C11 H15 Cl O3 -","- C11 H15 Cl O3 -","- C88 H120 Cl8 O24 -","8","1","","Jinhua Huang; Jessica R. Yang; Jin Zhang; Jiong Yang","Total Synthesis of the Potent cAMP Signaling Agonist (-)-Alotaketal A","Journal of the American Chemical Society","2012","134","","8806","8809","10.1021/ja303529z","","","1.54178","CuKα","","0.0414","0.039","","","0.0962","0.0974","","","","","","1.077","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117998","13.7289","0.0011","16.3711","0.0013","16.7915","0.0013","90","","101.316","0.001","90","","3700.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 Au F3 N5 O3 S -","- C34 H41 Au F3 N5 O3 S -","- C136 H164 Au4 F12 N20 O12 S4 -","4","1","","Dawei Wang; Rong Cai; Sripadh Sharma; James Jirak; Sravan K. Thummanapelli; Novruz G. Akhmedov; Hui Zhang; Xingbo Liu; Jeffrey L. Petersen; Xiaodong Shi","""Silver Effect"" in Gold(I) Catalysis: An Overlooked Important Factor","Journal of the American Chemical Society","2012","134","","9012","9019","10.1021/ja303862z","","","0.71073","MoKα","","0.0486","0.0418","","","0.1128","0.1205","","","","","","1.062","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117999","7.7837","0.0001","10.9032","0.0002","28.9411","0.0004","90","","90","","90","","2456.15","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 O2 -","- C11 H24 O2 -","- C88 H192 O16 -","8","2","","Xiaoyong Li; Carmin E. Burrell; Richard J. Staples; Babak Borhan","Absolute Configuration for 1,n-Glycols: A Nonempirical Approach to Long-Range Stereochemical Determination","Journal of the American Chemical Society","2012","134","","9026","9029","10.1021/ja2119767","","x-ray","0.71073","MoKα","","0.0555","0.0393","","","0.0808","0.0919","","","","","","1.016","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4118000","9.4357","0.0008","10.0619","0.0008","17.2986","0.0013","88.36","0.001","76.684","0.001","71.824","0.001","1516.8","0.2","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C14 H30.5 O2.25 -","- C14 H30.5 O2.25 -","- C56 H122 O9 -","4","4","","Xiaoyong Li; Carmin E. Burrell; Richard J. Staples; Babak Borhan","Absolute Configuration for 1,n-Glycols: A Nonempirical Approach to Long-Range Stereochemical Determination","Journal of the American Chemical Society","2012","134","","9026","9029","10.1021/ja2119767","","x-ray","0.71073","MoKα","","0.0728","0.0433","","","0.0965","0.1106","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118001","7.3196","0.0004","22.0005","0.0012","8.5948","0.0005","90","","98.23","0.002","90","","1369.81","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MOFO","bertozzi12","","- C16 H17 F O2 -","- C16 H17 F O2 -","- C64 H68 F4 O8 -","4","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0436","0.0428","","","0.1064","0.1071","","","","","","1.074","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118002","7.0936","0.0004","6.4862","0.0003","24.4944","0.0012","90","","90.04","0.003","90","","1127","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","I_CGG_143","bertozzi08","","- C16 H11 N O -","- C16 H11 N O -","- C64 H44 N4 O4 -","4","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0335","0.0302","","","0.0761","0.0784","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118003","5.5553","0.0002","8.3543","0.0003","14.6808","0.0004","90","","95.758","0.002","90","","677.91","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","DIMAC","bertozzi05","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C26 H38 N2 O10 -","2","1","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0331","0.0317","","","0.0828","0.0841","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118004","8.2069","0.0002","12.1823","0.0004","14.7485","0.0004","96.544","0.001","95.01","0.001","93.412","0.001","1455.74","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","II-CGG-DIFO","bertozzi13","","- C17 H18 F2 O2 -","- C17 H18 F2 O2 -","- C68 H72 F8 O8 -","4","2","","Chelsea G. Gordon; Joel L. Mackey; John C. Jewett; Ellen M. Sletten; K. N. Houk; Carolyn R. Bertozzi","Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry","Journal of the American Chemical Society","2012","134","","9199","9208","10.1021/ja3000936","","","1.54178","CuKα","","0.0413","0.0366","","","0.0979","0.1025","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118005","9.2715","0.0018","10.938","0.002","16.787","0.003","90","","97.152","0.004","90","","1689.2","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","jongc03","Tp'Rh(CNneopentyl)(CCCMe3)Br","","- C31 H50 B Br N7 O Rh -","- C31 H50 B Br N7 O Rh -","- C62 H100 B2 Br2 N14 O2 Rh2 -","2","1","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0774","0.0543","","","0.101","0.1092","","","","","","1.036","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118006","19.9666","0.0013","11.1947","0.0007","32.531","0.002","90","","90","","90","","7271.3","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jongc04","Tp'Rh(CNneopentyl)(CCSiMe3)Cl","","- C32 H48 B Cl N7 Rh Si -","- C32 H48 B Cl N7 Rh Si -","- C256 H384 B8 Cl8 N56 Rh8 Si8 -","8","1","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0891","0.046","","","0.1179","0.1293","","","","","","1.044","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118007","8.0127","0.0006","13.3358","0.001","13.9706","0.0011","90","","93.238","0.002","90","","1490.5","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","jongc02","Tp'Rh(CNneopentyl)(CCPh)Cl","","- C29 H38 B Cl N7 Rh -","- C29 H38 B Cl N7 Rh -","- C58 H76 B2 Cl2 N14 Rh2 -","2","0.5","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0945","0.0551","","","0.1269","0.1457","","","","","","1.045","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118008","43.6263","0.0018","13.234","0.0007","13.8249","0.0007","90","","108.465","0.003","90","","7570.9","0.6","183","2","183","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H24 Cd2 O12 -","- C48 H24 Cd2 O12 -","- C192 H96 Cd8 O48 -","4","1","","Marcela M. Wanderley; Cheng Wang; Chuan-De Wu; Wenbin Lin","A Chiral Porous Metal-Organic Framework for Highly Sensitive and Enantioselective Fluorescence Sensing of Amino Alcohols","Journal of the American Chemical Society","2012","134","","9050","9053","10.1021/ja302110d","","","0.71073","MoKα","","0.1866","0.1242","","","0.2607","0.2828","","","","","","0.866","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118009","14.951","0.002","16.424","0.002","17.657","0.002","90","","90","","90","","4335.8","0.9","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","Cp2Zr[N(t-Bu)SiHMe2]OTf","","","- C17 H26 F3 N O3 S Si Zr -","- C17 H26 F3 N O3 S Si Zr -","- C136 H208 F24 N8 O24 S8 Si8 Zr8 -","8","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0646","0.0337","","","0.0691","0.0806","","","","","","0.997","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118010","8.2232","0.0002","13.1668","0.0005","15.849","0.0005","90","","90","","90","","1716.02","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp2Zr[N(SiHMe2)2]H","bis(cyclopentadienyl)hydrido[(t-butyl)dimethylsilylamido]zirconium","","- C14 H25 N Si2 Zr -","- C14 H25 N Si2 Zr -","- C56 H100 N4 Si8 Zr4 -","4","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0301","0.0286","","","0.0737","0.0748","","","","","","1.065","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118011","16.8361","0.0015","8.5923","0.0008","17.1866","0.0016","90","","100.354","0.001","90","","2445.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CpZr[C5H4SiMe2NSiHMe2][N(SiHMe2)Bu]","","","- C20 H38 N2 Si3 Zr -","- C20 H38 N2 Si3 Zr -","- C80 H152 N8 Si12 Zr4 -","4","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0486","0.0323","","","0.0711","0.0832","","","","","","1.069","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118012","7.8901","0.0007","11.4722","0.0011","12.9352","0.0012","90","","91.536","0.003","90","","1170.43","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","2","","Kyle L. Kimmel; Jimmie D. Weaver; Melissa Lee; Jonathan A. Ellman","Catalytic Enantioselective Protonation of Nitronates Utilizing an Organocatalyst Chiral Only at Sulfur","Journal of the American Chemical Society","2012","134","","9058","9061","10.1021/ja3026196","","","1.54178","CuKα","","0.025","0.025","","","0.0682","0.0682","","","","","","1.026","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118013","9.4038","0.0009","15.5164","0.0015","11.0723","0.001","90","","102","0.002","90","","1580.3","0.3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl2 N3 Ni O12 -","- C30 H33 Cl2 N3 Ni O12 -","- C60 H66 Cl4 N6 Ni2 O24 -","2","1","","You-Yun Zhou; Li-Jia Wang; Jun Li; Xiu-Li Sun; Yong Tang","Side-Arm-Promoted Highly Enantioselective Ring-Opening Reactions and Kinetic Resolution of Donor-Acceptor Cyclopropanes with Amines","Journal of the American Chemical Society","2012","134","","9066","9069","10.1021/ja302691r","","","0.71073","MoKα","","0.0259","0.0242","","","0.0634","0.0644","","","","","","0.82","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118014","15.751","0.0012","15.1392","0.0014","9.5864","0.0007","90","","95.134","0.007","90","","2276.8","0.3","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H36 N2 O12 Zn2 -","- C22 H4 N2 O12 Zn2 -","- C44 H8 N4 O24 Zn4 -","2","0.25","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.1027","0.092","","","0.2396","0.2489","","","","","","1.057","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118015","14.264","0.006","16.41","0.004","9.547","0.005","90","","92.33","0.04","90","","2232.8","1.6","106","2","106","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 N2 O12 Zn2 -","- C22 H4 N2 O12 Zn2 -","- C44 H8 N4 O24 Zn4 -","2","0.25","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.1525","0.1374","","","0.3176","0.3328","","","","","","1.107","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118016","15.528","0.005","15.316","0.006","9.587","0.004","90","","96.04","0.03","90","","2267.4","1.5","107","2","107","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","DiP-DMOF","","","- C34 H44 N2 O12 Zn2 -","- C22 H4 N2 O12 Zn2 -","- C44 H8 N4 O24 Zn4 -","2","0.25","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.1739","0.1314","","","0.3193","0.3484","","","","","","1","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118017","10.9068","0.0005","10.9068","0.0005","9.5754","0.0007","90","","90","","90","","1139.07","0.11","110","2","110","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C38 H52 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","1","0.0625","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.0602","0.0566","","","0.1545","0.1576","","","","","","1.129","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118018","10.898","0.003","10.898","0.003","9.591","0.004","90","","90","","90","","1139.1","0.6","108","2","108","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C34 H28 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","- C22.08 N2 O12 Zn2 -","1","0.0625","","Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer","Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents","Journal of the American Chemical Society","2012","134","","9464","9474","10.1021/ja302991b","","","0.71073","MoKα","","0.0959","0.0779","","","0.1989","0.2082","","","","","","1.175","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118019","9.8331","0.0003","12.3566","0.0004","16.8282","0.0006","90","","93.653","0.002","90","","2040.53","0.12","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl2 O3 S -","- C22 H20 Cl2 O3 S -","- C88 H80 Cl8 O12 S4 -","4","2","","Takahiro Nishimura; Yuka Takiguchi; Tamio Hayashi","Effect of Chiral Diene Ligands in Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to α,β-Unsaturated Sulfonyl Compounds","Journal of the American Chemical Society","2012","134","","9086","9089","10.1021/ja303109q","","","1.54187","CuKα","","0.1778","0.099","","","0.2081","0.2776","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118020","9.1879","0.0002","9.3561","0.0002","28.4317","0.0007","90","","90","","90","","2444.07","0.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C112 H96 O24 S8 -","8","2","","Takahiro Nishimura; Yuka Takiguchi; Tamio Hayashi","Effect of Chiral Diene Ligands in Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to α,β-Unsaturated Sulfonyl Compounds","Journal of the American Chemical Society","2012","134","","9086","9089","10.1021/ja303109q","","","1.54187","CuKα","","0.0421","0.0353","","","0.0787","0.0833","","","","","","1.034","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118021","34.023","0.002","23.7143","0.0018","36.537","0.002","90","","94.386","0.002","90","","29393","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","2,4-dimethoxybenzylamine-derived pentameric iron(II) helicate","","","- C240 H234 Cl F45 Fe5 N37 O20 P7.5 -","- C240 H234 Cl F45 Fe5 N37 O20 P7.5 -","- C960 H936 Cl4 F180 Fe20 N148 O80 P30 -","4","1","","Jean-François Ayme; Jonathon E. Beves; David A. Leigh; Roy T. McBurney; Kari Rissanen; David Schultz","Pentameric Circular Iron(II) Double Helicates and a Molecular Pentafoil Knot","Journal of the American Chemical Society","2012","134","","9488","9497","10.1021/ja303355v","","x-ray","1.54178","CuKα","","0.1561","0.1392","","","0.3627","0.3835","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118022","13.484","0.001","13.484","0.001","9.799","0.001","90","","90","","90","","1781.6","0.3","200","2","200","2","","","","","","","","5","P 4 n c","P 4 -2n","104","[TcNCl(LMe)4]Cl","Tetrakis(1,3,4,5-tetramethylimidazol-2-ylidene)nitridotechnetium(V) chloride","","- C28 H48 Cl2 N9 Tc -","- C28 H48 Cl2.04 N9 Tc -","- C56 H96 Cl4.08 N18 Tc2 -","2","0.25","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.106","0.0671","","","0.1745","0.2092","","","","","","0.69","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118023","9.984","0.001","13.382","0.001","18.572","0.002","105.39","0.01","93.52","0.01","99.12","0.01","2348.1","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","TcNPh2(PPh3)2","Nitridodiphenylbis(triphenylphosphine)technetium(V) tetrahydrofuran solvate","","- C56 H56 N O2 P2 Tc -","- C56 H56 N O2 P2 Tc -","- C112 H112 N2 O4 P4 Tc2 -","2","1","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.1245","0.0545","","","0.1002","0.1242","","","","","","0.788","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118024","9.972","0.001","13.37","0.001","18.605","0.001","105.33","0.01","93.65","0.01","99.08","0.01","2347.8","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[ReNPh2(PPh3)2] . 2 THF","Nitridodiphenylbis(triphenylphosphine)rhenium(V) tetrahydrofuran solvate","","- C56 H56 N O2 P2 Re -","- C56 H56 N O2 P2 Re -","- C112 H112 N2 O4 P4 Re2 -","2","1","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.0898","0.0453","","","0.0826","0.0967","","","","","","0.867","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118025","18.331","0.002","9.233","0.002","27.035","0.002","90","","99.5","0.01","90","","4512.9","1.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[TcN(HLPh)2Ph2]","Bis(1,3,4-Triphenyl-1,2,4-triazol-5-yliden)nitridodiphenyl- technetium(V) benzene solvate","","- C58 H46 N7 Tc -","- C58 H46 N7 Tc -","- C232 H184 N28 Tc4 -","4","0.5","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.1259","0.0509","","","0.0711","0.0889","","","","","","0.828","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118026","12.383","0.001","16.239","0.001","21.731","0.002","90","","121.27","0.01","90","","3735","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[ReNPh(LPh)(LPh-H)]","Diphenyl(1,3,4-Triphenyl-1,2,4-triazol-5-yliden-C)(1,3,4-Triphenyl-1,2,4- triazol-5-ylidenato-C,C)nitridotechnetium(V)","","- C46 H34 N7 Re -","- C46 H34 N7 Re -","- C184 H136 N28 Re4 -","4","1","","Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram","Aryl and NHC Compounds of Technetium and Rhenium","Journal of the American Chemical Society","2012","134","","9118","9121","10.1021/ja3033718","","","0.71073","MoKα","","0.1632","0.0523","","","0.0679","0.0895","","","","","","0.776","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118027","5.6768","0.0002","9.5536","0.0003","21.6728","0.0007","90","","92.523","0.002","90","","1174.26","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","","Junwon Choi; Gregory C. Fu","Catalytic Asymmetric Synthesis of Secondary Nitriles via Stereoconvergent Negishi Arylations and Alkenylations of Racemic α-Bromonitriles","Journal of the American Chemical Society","2012","134","","9102","9105","10.1021/ja303442q","","","1.54178","CuKα","","0.0326","0.0326","","","0.0841","0.0842","","","","","","1.053","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118028","14.4823","0.0005","32.2596","0.001","14.5199","0.0005","90","","104.76","0.002","90","","6559.7","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O -","- C20 H23 N O -","- C320 H368 N16 O16 -","16","8","","Junwon Choi; Gregory C. Fu","Catalytic Asymmetric Synthesis of Secondary Nitriles via Stereoconvergent Negishi Arylations and Alkenylations of Racemic α-Bromonitriles","Journal of the American Chemical Society","2012","134","","9102","9105","10.1021/ja303442q","","","1.54178","CuKα","","0.0421","0.0405","","","0.1032","0.1066","","","","","","1.065","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118029","8.444","0.0003","15.9411","0.0005","24.0848","0.0007","97.948","0.001","94.371","0.001","90.02","0.001","3201.3","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H30 F6 N2 O4 Rh S Sb -","- C30 H30 F6 N2 O4 Rh S Sb -","- C120 H120 F24 N8 O16 Rh4 S4 Sb4 -","4","2","","Ji Young Kim; Sae Hume Park; Jaeyune Ryu; Seung Hwan Cho; Seok Hwan Kim; Sukbok Chang","Rhodium-Catalyzed Intermolecular Amidation of Arenes with Sulfonyl Azides via Chelation-Assisted C-H Bond Activation","Journal of the American Chemical Society","2012","134","","9110","9113","10.1021/ja303527m","","","0.71073","mokα","","0.0789","0.0591","","","0.1611","0.1748","","","","","","0.953","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118030","10.844","0.005","13.658","0.007","13.066","0.007","90","","109.313","0.01","90","","1826.3","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C84 H104 N8 O12 -","4","1","","Weiwei Zi; Weiqing Xie; Dawei Ma","Total Synthesis of Akuammiline Alkaloid (-)-Vincorine via Intramolecular Oxidative Coupling","Journal of the American Chemical Society","2012","134","","9126","9129","10.1021/ja303602f","","","0.71073","MoKα","","0.0763","0.0572","","","0.1512","0.1679","","","","","","1.029","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118031","13.411","0.005","21.868","0.008","16.401","0.006","90","","107.83","0.002","90","","4579","3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H12 B Br3 S3 -","- C24 H12 B Br3 S3 -","- C192 H96 B8 Br24 S24 -","8","2","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1333","0.1206","","","0.2761","0.2849","","","","","","1.146","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118032","8.5696","0.0014","13.162","0.002","38.189","0.006","90","","95.0096","0.0007","90","","4291","1.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 B O2 S2 -","- C56 H51 B O2 S2 -","- C224 H204 B4 O8 S8 -","4","1","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.0441","0.0411","","","0.1038","0.1063","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118033","18.9618","0.0004","19.2127","0.0001","20.7603","0.0001","74.793","0.012","73.353","0.012","62.6114","0.001","6357.7","0.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C142.64 H154.28 B2 F2 K2 N4 O16 S4 -","- C142.647 H154.291 B2 F2 K2 N4 O16 S4 -","- C285.294 H308.582 B4 F4 K4 N8 O32 S8 -","2","1","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1783","0.1107","","","0.2914","0.3887","","","","","","1.141","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118034","17.584","0.007","20.312","0.008","26.769","0.01","90","","97.955","0.0014","90","","9469","6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H38 B2 Cl2 S4 -","- C62 H38 B2 Cl2 S4 -","- C496 H304 B16 Cl16 S32 -","8","2","","Shohei Saito; Kyohei Matsuo; Shigehiro Yamaguchi","Polycyclic π-Electron System with Boron at Its Center","Journal of the American Chemical Society","2012","134","","9130","9133","10.1021/ja3036042","","","0.7107","MoKα","","0.1354","0.1048","","","0.2376","0.2569","","","","","","1.187","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118035","10.4836","0.001","12.017","0.0012","13.9089","0.0013","78.881","0.004","78.768","0.004","67.199","0.005","1571","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Au O P -","- C38 H44 Au O P -","- C76 H88 Au2 O2 P2 -","2","1","","Timothy J. Brown; Dieter Weber; Michel R. Gagné; Ross A. Widenhoefer","Mechanistic Analysis of Gold(I)-Catalyzed Intramolecular Allene Hydroalkoxylation Reveals an Off-Cycle Bis(gold) Vinyl Species and Reversible C-O Bond Formation","Journal of the American Chemical Society","2012","134","","9134","9137","10.1021/ja303844h","","","0.71073","MoKα","","0.0516","0.0415","","","0.1061","0.1167","","","","","","1.119","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118036","42.382","0.002","42.382","0.002","42.382","0.002","90","","90","","90","","76128","6","205","2","205","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C150 H168 Ag6 B6 Cl24 F24 N24 S6 -","- C138 H144 Ag6 B6 F24 N24 S6 -","- C2208 H2304 Ag96 B96 F384 N384 S96 -","16","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.0781","0.0437","","","0.1046","0.1111","","","","","","1.008","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118037","42.99","0.009","42.99","0.009","42.99","0.009","90","","90","","90","","79452","3","205","2","205","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C180 H240 Ag6 F36 N24 O12 P6 S6 -","- C138 H144 Ag6 F36 N24 P6 S6 -","- C2208 H2304 Ag96 F576 N384 P96 S96 -","16","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.1156","0.0428","","","0.1033","0.1086","","","","","","1.005","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118038","29.434","0.001","29.434","0.001","22.407","0.001","90","","90","","120","","16811.7","1.1","205","2","205","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C204 H268 Ag6 F18 N24 O30 S12 -","- C203.94 H267.9 Ag6 F18 N24 O30 S12 -","- C611.82 H803.7 Ag18 F54 N72 O90 S36 -","3","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.1026","0.0505","","","0.1291","0.1497","","","","","","1.002","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118039","29.821","0.005","29.821","0.005","20.416","0.003","90","","90","","120","","15723","4","190","2","190","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C162 H196 Ag6 Cl24 N30 O18 S6 -","- C138 H144 Ag6 N30 O18 S6 -","- C414 H432 Ag18 N90 O54 S18 -","3","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.0889","0.0464","","","0.1067","0.1165","","","","","","1.001","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118040","41.603","0.003","41.603","0.003","41.603","0.003","90","","90","","90","","72007","9","190","2","190","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C150 H168 B6 Cl24 Cu6 F24 N24 S6 -","- C138 H144 B5 Cu6 F24 N24 S6 -","- C2208 H2304 B80 Cu96 F384 N384 S96 -","16","0.166667","","Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò","Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.","Journal of the American Chemical Society","2012","134","","9142","9145","10.1021/ja303940d","","","0.71073","MoKα","","0.14","0.0594","","","0.1142","0.1243","","","","","","1.002","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118041","31.246","0.009","10.8069","0.0017","35.036","0.007","90","","90","","90","","11831","5","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[Cu(pytren-a)](ClO4)2","","","- C28 H33 Cl2 Cu N5 O8 -","- C28 H33 Cl2 Cu N5 O8 -","- C448 H528 Cl32 Cu16 N80 O128 -","16","4","","Mario Inclán; M. Teresa Albelda; Juan C. Frías; Salvador Blasco; Begoña Verdejo; Carolina Serena; Clàudia Salat-Canela; Maria Luisa Díaz; Antonio García-España; Enrique García-España","Modulation of DNA Binding by Reversible Metal-Controlled Molecular Reorganizations of Scorpiand-like Ligands","Journal of the American Chemical Society","2012","134","","9644","9656","10.1021/ja300538s","","","0.71073","MoKα","","0.3494","0.1197","","","0.226","0.2866","","","","","","0.755","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118042","17.3147","0.0007","12.8809","0.0009","21.1273","0.0011","90","","90","","90","","4712","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(pytren-al)](ClO4)2","","","- C16 H30 Cl2 Cu N6 O8 -","- C16 H30 Cl2 Cu N6 O8 -","- C128 H240 Cl16 Cu8 N48 O64 -","8","1","","Mario Inclán; M. Teresa Albelda; Juan C. Frías; Salvador Blasco; Begoña Verdejo; Carolina Serena; Clàudia Salat-Canela; Maria Luisa Díaz; Antonio García-España; Enrique García-España","Modulation of DNA Binding by Reversible Metal-Controlled Molecular Reorganizations of Scorpiand-like Ligands","Journal of the American Chemical Society","2012","134","","9644","9656","10.1021/ja300538s","","","0.71073","MoKα","","0.2335","0.1075","","","0.2313","0.3395","","","","","","1.004","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118043","12.9833","0.0004","14.3872","0.0004","15.1944","0.0004","90","","90","","90","","2838.21","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H22 F6 P2 -","- C9 H22 F6 P2 -","- C72 H176 F48 P16 -","8","1","","Liyu Jin; Kate M. Nairn; Craig M. Forsyth; Aaron J. Seeber; Douglas R. MacFarlane; Patrick C. Howlett; Maria Forsyth; Jennifer M. Pringle","Structure and Transport Properties of a Plastic Crystal Ion Conductor: Diethyl(methyl)(isobutyl)phosphonium Hexafluorophosphate","Journal of the American Chemical Society","2012","134","","9688","9697","10.1021/ja301175v","","","0.71073","MoKα","","0.0537","0.0366","","","0.0878","0.0976","","","","","","1.045","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118044","7.9668","0.0002","9.1543","0.0002","13.347","0.0003","89.801","0.001","78.816","0.001","71.954","0.001","906.27","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C40 H50 N2 O4 S2 -","2","1","","Chung-Yang (Dennis) Huang; Abigail G. Doyle","Nickel-Catalyzed Negishi Alkylations of Styrenyl Aziridines","Journal of the American Chemical Society","2012","134","","9541","9544","10.1021/ja3013825","","","1.54178","CuKα","","0.0392","0.0391","","","0.0932","0.0934","","","","","","1.341","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118045","10.938","0.005","5.438","0.005","16.031","0.005","90","","109.371","0.005","90","","899.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 N O2 S -","- C19 H25 N O2 S -","- C38 H50 N2 O4 S2 -","2","1","","Chung-Yang (Dennis) Huang; Abigail G. Doyle","Nickel-Catalyzed Negishi Alkylations of Styrenyl Aziridines","Journal of the American Chemical Society","2012","134","","9541","9544","10.1021/ja3013825","","","1.54184","CuKα","","0.0295","0.0294","","","0.0789","0.0789","","","","","","1.038","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118046","28.212","0.003","23.516","0.003","27.828","0.003","90","","93.5886","0.0012","90","","18426","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","NiSn9-cluster","NiSn9-cluster","","- C121 H248 K6 N18 Ni2 O36 Sn18 -","- C121 H248 K6 N18 Ni2 O36 Sn18 -","- C484 H992 K24 N72 Ni8 O144 Sn72 -","4","1","","F. Sanem Kocak; Domonique O. Downing; Peter Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov; Bryan Eichhorn","Surprising Acid/Base and Ion-Sequestration Chemistry of Sn94-: HSn93-, Ni@HSn93-, and the Sn93- Ion Revisited","Journal of the American Chemical Society","2012","134","","9733","9740","10.1021/ja3018797","","","0.71073","MoKα","","0.0619","0.0417","","","0.0902","0.0961","","","","","","1.066","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118047","13.9891","0.0015","14.8896","0.0016","22.004","0.002","89.391","0.002","79.589","0.002","78.861","0.002","4421.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","S9-cluster","S9-cluster","","- C57 H120 K3 N9 O18 Sn9 -","- C57.153 H116.264 K3 N8.962 O18 Sn9 -","- C114.306 H232.528 K6 N17.924 O36 Sn18 -","2","1","","F. Sanem Kocak; Domonique O. Downing; Peter Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov; Bryan Eichhorn","Surprising Acid/Base and Ion-Sequestration Chemistry of Sn94-: HSn93-, Ni@HSn93-, and the Sn93- Ion Revisited","Journal of the American Chemical Society","2012","134","","9733","9740","10.1021/ja3018797","","","0.71073","MoKα","","0.045","0.0345","","","0.0699","0.0728","","","","","","1","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118048","11.7258","0.0004","15.4489","0.0006","16.7107","0.0006","106.787","0.002","98.064","0.002","107.788","0.002","2671.5","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1a","","","- C35 H30 Mn1.5 N O12 -","- C35 H30 Mn1.5 N O12 -","- C70 H60 Mn3 N2 O24 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.0886","0.0677","","","0.1966","0.2062","","","","","","1.341","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118049","12.6583","0.0008","15.5409","0.001","16.4094","0.001","108.446","0.004","98.651","0.003","109.526","0.003","2765.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1a_Cu","","","- C33 H24 Cu1.5 Mn0.5 O13 -","- C33 H24 Cu1.5 Mn0.5 O13 -","- C66 H48 Cu3 Mn O26 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.1375","0.0829","","","0.2076","0.2237","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118050","13.4319","0.0004","16.216","0.0004","16.2911","0.0004","108.099","0.001","102.652","0.002","106.188","0.002","3052.14","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1b","","","- C33 H24 Mn1.5 O12.5 -","- C33 H24 Mn1.5 O12.5 -","- C66 H48 Mn3 O25 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.0971","0.0673","","","0.187","0.1987","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118051","12.6594","0.0004","15.0271","0.0005","17.0317","0.0006","108.009","0.002","101.05","0.002","106.05","0.002","2821.74","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2","","","- C33 H24 Co1.5 Mn0.5 O13 -","- C33 H24 Co1.5 Mn0.5 O13 -","- C66 H48 Co3 Mn O26 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.0778","0.0592","","","0.1822","0.191","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118052","16.6187","0.0007","15.6802","0.0006","16.8631","0.0007","109.215","0.002","98.782","0.002","114.858","0.002","3541.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","3","","","- C33 H24 Mn0.5 Ni1.5 O16 -","- C33 H24 Mn0.5 Ni1.5 O16 -","- C66 H48 Mn Ni3 O32 -","2","1","","Jian Tian; Laxmikant V. Saraf; Birgit Schwenzer; Stephanie M. Taylor; Euan K. Brechin; Jun Liu; Scott J. Dalgarno; Praveen K. Thallapally","Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations","Journal of the American Chemical Society","2012","134","","9581","9584","10.1021/ja303092m","","","0.71073","MoKα","","0.1299","0.0789","","","0.1994","0.2168","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118053","7.4936","0.0007","12.4907","0.0011","19.9825","0.0018","90","","90","","90","","1870.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Cheng Zhang; Xin-Hu Hu; Ya-Hui Wang; Zhuo Zheng; Jie Xu; Xiang-Ping Hu","Highly Diastereo- and Enantioselective Cu-Catalyzed [3 + 3] Cycloaddition of Propargyl Esters with Cyclic Enamines toward Chiral Bicyclo[n.3.1] Frameworks","Journal of the American Chemical Society","2012","134","","9585","9588","10.1021/ja303129s","","","0.71073","MoKα","","0.0504","0.0403","","","0.1172","0.1255","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118054","11.4605","0.0006","10.9335","0.0006","13.1568","0.0007","90","","111.428","0.003","90","","1534.64","0.15","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H29 Cl3 Cu Fe N2 P -","- C31 H29 Cl3 Cu Fe N2 P -","- C62 H58 Cl6 Cu2 Fe2 N4 P2 -","2","1","","Cheng Zhang; Xin-Hu Hu; Ya-Hui Wang; Zhuo Zheng; Jie Xu; Xiang-Ping Hu","Highly Diastereo- and Enantioselective Cu-Catalyzed [3 + 3] Cycloaddition of Propargyl Esters with Cyclic Enamines toward Chiral Bicyclo[n.3.1] Frameworks","Journal of the American Chemical Society","2012","134","","9585","9588","10.1021/ja303129s","","","0.71073","MoKα","","0.0343","0.0309","","","0.0762","0.0783","","","","","","1.026","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118055","12.555","0.003","12.872","0.003","19.641","0.004","90","","92.52","0.003","90","","3171.1","1.2","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 O2 Zn2 -","- C38 H40 O2 Zn2 -","- C152 H160 O8 Zn8 -","4","0.5","","Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda","Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination","Journal of the American Chemical Society","2012","134","","9805","9811","10.1021/ja303480a","","","0.71073","MoKα","","0.0901","0.0532","","","0.1123","0.126","","","","","","1.013","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118056","10.4865","0.0012","10.4865","0.0012","5.8982","0.0007","90","","90","","90","","648.61","0.13","130","2","130","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C6 H10 Zn -","- C6 H10 Zn -","- C24 H40 Zn4 -","4","0.25","","Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda","Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination","Journal of the American Chemical Society","2012","134","","9805","9811","10.1021/ja303480a","","","0.71073","MoKα","","0.0185","0.0165","","","0.0426","0.044","","","","","","1.143","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118057","12.9741","0.001","16.3265","0.0013","20.2437","0.0016","90","","111.516","0.001","90","","3989.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Cl6 O Zn6 -","- C28 H52 Cl6 O Zn6 -","- C112 H208 Cl24 O4 Zn24 -","4","0.5","","Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda","Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination","Journal of the American Chemical Society","2012","134","","9805","9811","10.1021/ja303480a","","","0.71073","MoKα","","0.0344","0.0267","","","0.0528","0.0542","","","","","","0.929","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118058","22.206","0.003","18.651","0.003","23.766","0.005","90","","97.375","0.011","90","","9762","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H39 B F15 N O2 S -","- C57 H39 B F15 N O2 S -","- C456 H312 B8 F120 N8 O16 S8 -","8","1","","Andrey Y. Khalimon; Warren E. Piers; James M. Blackwell; David J. Michalak; Masood Parvez","A Photo Lewis Acid Generator (PhLAG): Controlled Photorelease of B(C6F5)3","Journal of the American Chemical Society","2012","134","","9601","9604","10.1021/ja3042977","","","0.71073","MoKα","","0.0882","0.0637","","","0.129","0.1419","","","","","","1.15","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118059","14.038","0.004","39.25","0.011","14.581","0.004","90","","102.03","0.004","90","","7858","4","140","1","140","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H95 Cl N2 O3 P3 U -","- C78 H79 Cl N2 O3 P3 U -","- C312 H316 Cl4 N8 O12 P12 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0862","0.0542","","","0.1223","0.136","","","","","","0.971","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118060","15.2619","0.0013","20.2744","0.0017","18.7925","0.0015","90","","102.554","0.001","90","","5675.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","apx1169","","","- C60 H82 Cl N6 U -","- C60 H82 Cl N6 U -","- C240 H328 Cl4 N24 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0669","0.0386","","","0.0774","0.0875","","","","","","0.998","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118061","15.2445","0.0017","20.288","0.002","18.833","0.002","90","","102.641","0.001","90","","5683.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","apx1179","","","- C60 H82 Br N6 U -","- C60 H82 Br N6 U -","- C240 H328 Br4 N24 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0941","0.0491","","","0.0962","0.1108","","","","","","1.016","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118062","14.3846","0.0017","26.537","0.003","18.94","0.002","90","","111.944","0.001","90","","6706","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","apx1206","","","- C60 H82 I N6 U -","- C60 H82 I N6 U -","- C240 H328 I4 N24 U4 -","4","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.0812","0.0474","","","0.1018","0.1117","","","","","","0.933","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118063","14.5626","0.0011","23.1936","0.0018","36.78","0.003","90","","90","","90","","12422.8","1.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","apx1346","","","- C54 H63 Br Cl I3 N6 U -","- C54 H63 Br Cl I3 N6 U -","- C432 H504 Br8 Cl8 I24 N48 U8 -","8","1","","Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella","A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride","Journal of the American Chemical Society","2012","134","","9876","9878","10.1021/ja2108432","","","0.71073","MoKα","","0.111","0.0673","","","0.1623","0.1744","","","","","","1.383","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118064","12.2398","0.0004","17.5642","0.0004","21.2961","0.0006","90.983","0.002","101.845","0.003","108.449","0.002","4233.9","0.2","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H102 Cl N4 O4 P4 Si4 U2 -","- C83 H102 Cl N4 O4 P4 Si4 U2 -","- C166 H204 Cl2 N8 O8 P8 Si8 U4 -","2","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","1.5418","CuKα","","0.0471","0.038","","","0.0925","0.0974","","","","","","1.06","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118065","15.255","0.0008","28.8625","0.0015","29.2694","0.0015","90","","104.515","0.001","90","","12475.9","1.1","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C121 H147 Cl N6 O6 P6 Si6 U3 -","- C121 H147 Cl N6 O6 P6 Si6 U3 -","- C484 H588 Cl4 N24 O24 P24 Si24 U12 -","4","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","0.71073","MoKα","","0.0722","0.048","","","0.115","0.127","","","","","","1.02","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118066","16.1791","0.0009","11.3857","0.0006","22.5451","0.0012","90","","98.588","0.001","90","","4106.5","0.4","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cl2.25 N2 O0.75 P2 Si2 U -","- C38 H46 Cl2.25 N2 O0.75 P2 Si2 U -","- C152 H184 Cl9 N8 O3 P8 Si8 U4 -","4","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","0.71073","MoKα","","0.0381","0.028","","","0.0621","0.0669","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118067","9.8882","0.0002","11.5087","0.0003","16.2479","0.0004","88.2809","0.0018","83.0033","0.0019","79.295","0.002","1803.26","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 N2 P2 Si2 -","- C38 H44 N2 P2 Si2 -","- C76 H88 N4 P4 Si4 -","2","1","","David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle","Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds","Journal of the American Chemical Society","2012","134","","10047","10054","10.1021/ja301333f","","","1.5418","CuKα","","0.0293","0.0286","","","0.0743","0.0748","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118068","5.9714","0.0004","11.4212","0.0008","13.9961","0.001","90","","90.312","0.001","90","","954.53","0.11","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TPB-1","","","- C26 H18 N4 -","- C26 H18 N4 -","- C52 H36 N8 -","2","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0792","0.0508","","","0.1266","0.1418","","","","","","0.95","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118069","16.31","0.0002","13.6832","0.0002","9.7527","0.0002","90","","97.147","0.001","90","","2159.63","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TPB-2","","","- C26 H22 N4 O2 -","- C26 H18 N4 O2 -","- C104 H72 N16 O8 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0655","0.0479","","","0.1327","0.1467","","","","","","1.018","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118070","15.5701","0.0008","11.3472","0.0006","14.0056","0.0007","90","","91.147","0.002","90","","2474","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TPCH","","","- C26 H32 N4 O5 -","- C26 H28 N4 O5 -","- C104 H112 N16 O20 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","1.54178","CuKα","","0.0619","0.0614","","","0.1671","0.1676","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4118071","9.2671","0.0005","17.1198","0.0009","24.8416","0.0013","90","","90","","90","","3941.1","0.4","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C38 H30 N2 O16 P2 Zn2 -","- C36 H26 N4 O16 P2 Zn2 -","- C144 H104 N16 O64 P8 Zn8 -","4","0.5","","Yu-Chuan Chang; Sue-Lein Wang","From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate","Journal of the American Chemical Society","2012","134","","9848","9851","10.1021/ja302009h","","","0.71073","MoKα","","0.0792","0.0487","","","0.1261","0.1559","","","","","","1.077","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118072","7.699","0.003","17.608","0.008","15.09","0.007","90","","90","","90","","2045.7","1.5","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10 H6.5 N1.5 O3 Zn0.5 -","- C10 H6.5 N1.5 O3 Zn0.5 -","- C80 H52 N12 O24 Zn4 -","8","1","","Satoshi Horike; Keisuke Kishida; Yoshihiro Watanabe; Yasutaka Inubushi; Daiki Umeyama; Masayuki Sugimoto; Tomohiro Fukushima; Munehiro Inukai; Susumu Kitagawa","Dense Coordination Network Capable of Selective CO2 Capture from C1 and C2 Hydrocarbons","Journal of the American Chemical Society","2012","134","","9852","9855","10.1021/ja302043u","","","0.71075","MoKα","","0.1261","0.0694","","","0.1777","0.2109","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118073","16.67","0.003","24.497","0.004","9.2897","0.0014","90","","90","","90","","3793.6","1.1","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","[Me3NN]Ni-N(CHMePh)Ad.1/2ether","","","- C43 H58 N3 Ni O0.5 -","- C43 H58 N3 Ni O0.5 -","- C172 H232 N12 Ni4 O2 -","4","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.0869","0.057","","","0.1453","0.161","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118074","9.81","0.003","16.118","0.004","24.663","0.007","90","","90.508","0.004","90","","3899.5","1.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Me3NN]Ni(h2-CHPhNHAd).ether","","","- C40 H51 N3 Ni -","- C40 H51 N3 Ni -","- C160 H204 N12 Ni4 -","4","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.1301","0.0668","","","0.1447","0.164","","","","","","0.943","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118075","11.4076","0.0014","12.7225","0.0016","19.095","0.002","89.664","0.002","88.036","0.002","84.121","0.002","2755.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[Me3NN]Ni}2(m-NAd).ether","","","- C60 H83 N5 Ni2 O -","- C60 H83 N5 Ni2 O -","- C120 H166 N10 Ni4 O2 -","2","1","","Stefan Wiese; Jason L. McAfee; Dale R. Pahls; Claire L. McMullin; Thomas R. Cundari; Timothy H. Warren","C-H Functionalization Reactivity of a Nickel-Imide","Journal of the American Chemical Society","2012","134","","10114","10121","10.1021/ja302149k","","","0.71073","MoKα","","0.1285","0.0537","","","0.108","0.123","","","","","","0.915","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118076","17.198","0.003","7.6587","0.0015","10.144","0.002","90","","90","","90","","1336.1","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- Ce5 F2 Li14 N19 O7 Si11 -","- Ce5 F2 Li14 N19 O7 Si11 -","- Ce10 F4 Li28 N38 O14 Si22 -","2","0.25","","Saskia Lupart; Giuliano Gregori; Joachim Maier; Wolfgang Schnick","Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of Potential Lithium Ion Conductors","Journal of the American Chemical Society","2012","134","","10132","10137","10.1021/ja302255d","","","0.71073","MoKα","","0.0699","0.0409","","","0.0896","0.0971","","","","","","0.876","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118077","17.126","0.003","7.6155","0.0015","10.123","0.002","90","","90","","90","","1320.3","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- F2 Li14 N19 Nd5 O7 Si11 -","- F2 Li14 N19 Nd5 O7 Si11 -","- F4 Li28 N38 Nd10 O14 Si22 -","2","0.25","","Saskia Lupart; Giuliano Gregori; Joachim Maier; Wolfgang Schnick","Li14Ln5[Si11N19O5]O2F2 with Ln = Ce, Nd - Representatives of a Family of Potential Lithium Ion Conductors","Journal of the American Chemical Society","2012","134","","10132","10137","10.1021/ja302255d","","","0.71073","MoKα","","0.0678","0.0419","","","0.0929","0.1005","","","","","","0.893","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118078","14.9687","0.0014","20.641","0.002","7.9486","0.0008","90","","98.316","0.007","90","","2430","0.4","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C112 H80 F24 N8 O16 -","8","2","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.1335","0.1011","","","0.2263","0.2646","","","","","","1.005","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118079","17.0047","0.0014","17.887","0.0014","19.1941","0.0015","81.321","0.007","89.58","0.006","78.56","0.007","5655.1","0.8","85","2","85","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C252 H180 F54 N18 O36 -","18","9","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.2977","0.1967","","","0.3801","0.4404","","","","","","1.027","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118080","8.6485","0.0002","11.5115","0.0002","38.895","0.003","87.914","0.006","85.91","0.006","72.26","0.005","3678.3","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C168 H120 F36 N12 O24 -","12","6","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.1818","0.1613","","","0.3923","0.3995","","","","","","1.147","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118081","8.7589","0.0002","11.6629","0.0003","20.0229","0.0014","80.632","0.006","81.041","0.006","73.532","0.005","1922.33","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C84 H60 F18 N6 O12 -","6","3","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54178","CuKα","","0.0826","0.0542","","","0.1324","0.1471","","","","","","0.954","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118082","26.6592","0.0019","7.9007","0.0002","23.243","0.0006","90","","94.084","0.007","90","","4883.2","0.4","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C224 H160 F48 N16 O32 -","16","4","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54187","CuKα","","0.109","0.0727","","","0.2013","0.267","","","","","","1.108","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118083","10.8813","0.0008","10.2374","0.0007","11.7487","0.001","90","","111.318","0.008","90","","1219.21","0.17","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid","2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid","","- C14 H10 F3 N O2 -","- C14 H10 F3 N O2 -","- C56 H40 F12 N4 O8 -","4","1","","Vilmalí López-Mejías; Jeff W. Kampf; Adam J. Matzger","Nonamorphism in Flufenamic Acid and a New Record for a Polymorphic Compound with Solved Structures","Journal of the American Chemical Society","2012","134","","9872","9875","10.1021/ja302601f","","","1.54187","CuKα","","0.1065","0.0736","","","0.1494","0.1847","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118084","48.893","0.0016","48.893","0.0016","48.893","0.0016","90","","90","","90","","116880","7","225","2","225.04","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C28 H8 Cu2 O10 -","- C28 H8 Cu2 O10 -","- C1344 H384 Cu96 O480 -","48","0.25","","Omar K. Farha; Christopher E. Wilmer; Ibrahim Eryazici; Brad G. Hauser; Philip A. Parilla; Kevin O'Neill; Amy A. Sarjeant; SonBinh T. Nguyen; Randall Q. Snurr; Joseph T. Hupp","Designing Higher Surface Area Metal-Organic Frameworks: Are Triple Bonds Better Than Phenyls?","Journal of the American Chemical Society","2012","134","","9860","9863","10.1021/ja302623w","","","1.54184","CuKα","","0.0992","0.0806","","","0.2519","0.2629","","","","","","1.043","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118085","8.6599","0.0003","10.7452","0.0008","21.1333","0.0006","84.775","0.004","82.784","0.002","86.802","0.005","1940.86","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H38 B F10 N O P -","- C38.5 H38 B F10 N O P -","- C77 H76 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0601","0.0497","","","0.1273","0.1335","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118086","11.6585","0.0003","16.4256","0.0005","18.7671","0.0004","90","","106.113","0.001","90","","3452.68","0.16","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 B F10 N O P -","- C38 H30 B F10 N O P -","- C152 H120 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0472","0.0431","","","0.1125","0.1162","","","","","","1.025","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118087","7.9245","0.0005","10.6961","0.0005","18.9336","0.0019","79.222","0.004","79.203","0.007","88.914","0.003","1548.4","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 B F10 N O P -","- C33 H28 B F10 N O P -","- C66 H56 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0875","0.0538","","","0.1077","0.1279","","","","","","1.008","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118088","10.5468","0.0003","10.6122","0.0003","17.4537","0.0007","86.333","0.001","85.007","0.001","63.541","0.002","1741.55","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H34 B F10 N O P Si -","- C35 H34 B F10 N O P Si -","- C70 H68 B2 F20 N2 O2 P2 Si2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.1093","0.0786","","","0.1496","0.1705","","","","","","1.079","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118089","17.4646","0.0002","10.6452","0.0001","20.7316","0.0002","90","","91.147","0.001","90","","3853.53","0.07","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 B F10 N O P -","- C41 H45 B F10 N O P -","- C164 H180 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0731","0.0578","","","0.1542","0.1674","","","","","","1.048","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118090","10.8277","0.0002","11.495","0.0003","14.8377","0.0003","87.546","0.001","73.836","0.001","82.013","0.002","1756.54","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 B F10 N O P -","- C38 H31 B F10 N O P -","- C76 H62 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.0778","0.0521","","","0.1118","0.1289","","","","","","1.044","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118091","9.4443","0.0002","10.7197","0.0002","19.2926","0.0005","82.938","0.001","86.248","0.001","82.508","0.001","1919.39","0.07","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H35 B F10 N O P Si -","- C35 H35 B F10 N O P Si -","- C70 H70 B2 F20 N2 O2 P2 Si2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.082","0.0664","","","0.1586","0.1686","","","","","","1.035","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118092","10.935","0.0012","12.8316","0.0016","16.1354","0.001","68.007","0.004","89.889","0.005","73.784","0.011","2002.3","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H33 B F10 N O P -","- C39 H33 B F10 N O P -","- C78 H66 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.1379","0.0904","","","0.1922","0.2242","","","","","","1.039","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118093","9.5024","0.0001","19.828","0.0003","21.6374","0.0002","74.247","0.001","81.653","0.001","78.048","0.001","3821.44","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 B F10 N O P -","- C43 H39 B F10 N O P -","- C172 H156 B4 F40 N4 O4 P4 -","4","2","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0756","0.0589","","","0.1426","0.16","","","","","","1.042","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118094","10.8645","0.0007","12.6096","0.0004","14.7239","0.0007","79.426","0.002","69.495","0.004","75.95","0.004","1822.01","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 B F10 N O P -","- C40 H35 B F10 N O P -","- C80 H70 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","1.54178","CuKα","","0.055","0.0461","","","0.1252","0.1346","","","","","","1.001","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118095","11.07","0.0001","21.3258","0.0003","18.9405","0.0003","90","","105.085","0.001","90","","4317.33","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 B F10 N O P -","- C49 H49 B F10 N O P -","- C196 H196 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0851","0.0688","","","0.1776","0.194","","","","","","1.045","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118096","11.8794","0.0002","16.4445","0.0002","19.7784","0.0003","97.514","0.001","94.091","0.001","92.643","0.001","3814.78","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 B F10 N O P -","- C42 H41 B F10 N O P -","- C168 H164 B4 F40 N4 O4 P4 -","4","2","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0821","0.0642","","","0.133","0.1486","","","","","","1.06","","","","has coordinates,has disorder","178951","2020-10-21","18:00:00",""
"4118097","19.6305","0.0005","11.3087","0.0004","18.274","0.0005","90","","105.963","0.002","90","","3900.3","0.2","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H41 B F10 N O P -","- C44 H41 B F10 N O P -","- C176 H164 B4 F40 N4 O4 P4 -","4","1","","Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker","N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals","Journal of the American Chemical Society","2012","134","","10156","10168","10.1021/ja302652a","","","0.71073","MoKα","","0.0598","0.051","","","0.1016","0.1086","","","","","","1.092","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118098","14.1349","0.0008","23.316","0.0012","14.1781","0.0008","90","","96.497","0.001","90","","4642.7","0.4","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl2 N O4 -","- C23 H19 Cl2 N O4 -","- C184 H152 Cl16 N8 O32 -","8","4","","Fangrui Zhong; Jie Luo; Guo-Ying Chen; Xiaowei Dou; Yixin Lu","Highly Enantioselective Regiodivergent Allylic Alkylations of MBH Carbonates with Phthalides","Journal of the American Chemical Society","2012","134","","10222","10227","10.1021/ja303115m","","","0.71073","MoKα","","0.1407","0.0816","","","0.2041","0.2416","","","","","","0.981","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118099","8.8539","0.0011","11.5917","0.0014","10.5166","0.0012","90","","103.077","0.003","90","","1051.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 Br Cl2 O6 -","- C21 H15 Br Cl2 O6 -","- C42 H30 Br2 Cl4 O12 -","2","1","","Fangrui Zhong; Jie Luo; Guo-Ying Chen; Xiaowei Dou; Yixin Lu","Highly Enantioselective Regiodivergent Allylic Alkylations of MBH Carbonates with Phthalides","Journal of the American Chemical Society","2012","134","","10222","10227","10.1021/ja303115m","","","0.71073","MoKα","","0.0344","0.0316","","","0.0692","0.07","","","","","","0.965","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118100","6.301","0.0013","7.921","0.0016","15.916","0.003","90","","90","","90","","794.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Aaron Mailman; Stephen M. Winter; Xin Yu; Craig M. Robertson; Wenjun Yong; John S. Tse; Richard A. Secco; Zhenxian Liu; Paul A. Dube; Judith A. K. Howard; Richard T. Oakley","Crossing the Insulator-to-Metal Barrier with a Thiazyl Radical Conductor","Journal of the American Chemical Society","2012","134","","9886","9889","10.1021/ja303169y","","","0.6889","","","0.054","0.0534","","","0.1253","0.1258","","","","","","1.16","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118101","10.3022","0.0007","14.7258","0.001","18.459","0.0012","104.883","0.002","91.731","0.002","98.113","0.002","2672.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44.49 H38 Co2 F19.52 N10 O8.48 P2.51 S1.5 -","- C44.493 H38 Co2 F19.521 N10 O8.479 P2.507 S1.493 -","- C88.986 H76 Co4 F39.042 N20 O16.958 P5.014 S2.986 -","2","1","","Shunichi Fukuzumi; Sukanta Mandal; Kentaro Mase; Kei Ohkubo; Hyejin Park; Jordi Benet-Buchholz; Wonwoo Nam; Antoni Llobet","Catalytic Four-Electron Reduction of O2 via Rate-Determining Proton-Coupled Electron Transfer to a Dinuclear Cobalt-μ-1,2-peroxo Complex","Journal of the American Chemical Society","2012","134","","9906","9909","10.1021/ja303674n","","","0.71073","MoKα","","0.0498","0.0415","","","0.1094","0.1151","","","","","","1.06","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4118102","14.0028","0.0006","14.0551","0.0006","16.0751","0.0007","84.39","0.002","72.006","0.002","61.058","0.002","2628.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H41 Co2 F12 N10 O13 P S2 -","- C45 H41 Co2 F12 N10 O13 P S2 -","- C90 H82 Co4 F24 N20 O26 P2 S4 -","2","1","","Shunichi Fukuzumi; Sukanta Mandal; Kentaro Mase; Kei Ohkubo; Hyejin Park; Jordi Benet-Buchholz; Wonwoo Nam; Antoni Llobet","Catalytic Four-Electron Reduction of O2 via Rate-Determining Proton-Coupled Electron Transfer to a Dinuclear Cobalt-μ-1,2-peroxo Complex","Journal of the American Chemical Society","2012","134","","9906","9909","10.1021/ja303674n","","","0.71073","MoKα","","0.0993","0.071","","","0.208","0.2368","","","","","","1.058","","","","has coordinates,has disorder","288243","2023-12-12","09:57:14",""
"4118103","13.9792","0.0009","11.8611","0.0008","7.7282","0.0005","90","","112.748","0.004","90","","1181.73","0.14","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","nickel (0) nitrosyl iodide bipyridine","","- C10 H8 I N3 Ni O -","- C10 H8 I N3 Ni O -","- C40 H32 I4 N12 Ni4 O4 -","4","0.5","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0252","0.0199","","","0.0442","0.0456","","","","","","1.041","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118104","7.9403","0.0003","10.4457","0.0003","16.9595","0.0006","81.625","0.002","86.498","0.002","77.562","0.002","1358.35","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","nickel (0) nitrosyl bipyridine hexafluorophosphate","","- C10 H8 F6 N3 Ni O P -","- C10 H8 F6 N3 Ni O P -","- C40 H32 F24 N12 Ni4 O4 P4 -","4","2","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","1.54178","CuKα","","0.0504","0.0496","","","0.1435","0.1455","","","","","","1.017","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118105","9.1746","0.0012","12.0587","0.0016","12.7075","0.0016","91.115","0.002","102.721","0.002","107.306","0.002","1303.8","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","bis(bipyridine) nitrosyl nickel hexafluorophosphate","","- C22 H20 Cl3 F6 N5 Ni O P -","- C22 H20 Cl3 F6 N5 Ni O P -","- C44 H40 Cl6 F12 N10 Ni2 O2 P2 -","2","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0602","0.0482","","","0.1249","0.1322","","","","","","1.049","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118106","13.5487","0.0015","14.7806","0.0018","13.6462","0.0016","90","","110.055","0.007","90","","2567.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H22 Cl F6 N5 Ni O P -","- C24.5 H20 Cl F6 N5 Ni O P -","- C98 H80 Cl4 F24 N20 Ni4 O4 P4 -","4","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.1272","0.1096","","","0.2506","0.2565","","","","","","1.225","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118107","11.7637","0.0018","30.291","0.005","18.027","0.003","90","","104.34","0.003","90","","6223.5","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","acetylacetonate bis(bipyridine) nickel (II) hexafluorophosphate","","- C53 H52 Cl6 F12 N8 Ni2 O4 P2 -","- C53 H52 Cl6 F12 N8 Ni2 O4 P2 -","- C212 H208 Cl24 F48 N32 Ni8 O16 P8 -","4","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0665","0.047","","","0.1389","0.1511","","","","","","1.084","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118108","16.7015","0.0005","6.6866","0.0002","17.7346","0.0005","90","","90","","90","","1980.53","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-hyponitrite 2,2-bipridine nickel (II)","","- C10 H8 N4 Ni O2 -","- C10 H8 N4 Ni O2 -","- C80 H64 N32 Ni8 O16 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0558","0.0309","","","0.0607","0.068","","","","","","1.013","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118109","10.4308","0.0009","18.1887","0.0015","15.4186","0.0013","90","","101.419","0.001","90","","2867.4","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Be Cl2 N2 -","- C27 H36 Be Cl2 N2 -","- C108 H144 Be4 Cl8 N8 -","4","1","","Robert J. Gilliard; Mariham Y. Abraham; Yuzhong Wang; Pingrong Wei; Yaoming Xie; Brandon Quillian; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Beryllium Borohydride","Journal of the American Chemical Society","2012","134","","9953","9955","10.1021/ja304514f","","","0.71073","MoKα","","0.1284","0.0565","","","0.1431","0.1912","","","","","","1.006","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118110","10.4255","0.0007","17.9488","0.0011","15.9335","0.001","90","","98.579","0.001","90","","2948.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 B2 Be N2 -","- C27 H44 B2 Be N2 -","- C108 H176 B8 Be4 N8 -","4","1","","Robert J. Gilliard; Mariham Y. Abraham; Yuzhong Wang; Pingrong Wei; Yaoming Xie; Brandon Quillian; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Beryllium Borohydride","Journal of the American Chemical Society","2012","134","","9953","9955","10.1021/ja304514f","","","0.71073","MoKα","","0.0826","0.0527","","","0.1447","0.1707","","","","","","1.032","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118111","12.4807","0.0007","23.1679","0.0012","17.7375","0.001","90","","91.1","0.001","90","","5127.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B N4 -","- C54 H77 B N4 -","- C216 H308 B4 N16 -","4","1","","Robert J. Gilliard; Mariham Y. Abraham; Yuzhong Wang; Pingrong Wei; Yaoming Xie; Brandon Quillian; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Carbene-Stabilized Beryllium Borohydride","Journal of the American Chemical Society","2012","134","","9953","9955","10.1021/ja304514f","","","0.71073","MoKα","","0.0703","0.0499","","","0.1212","0.1375","","","","","","1.016","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118112","9.5379","0.0015","9.5379","0.0015","32.918","0.003","90","","90","","90","","2994.6","0.7","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C30 H31 Cl F6 O4 -","- C30 H31 Cl F6 O4 -","- C120 H124 Cl4 F24 O16 -","4","1","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1001","0.0424","","","0.1071","0.1307","","","","","","1.006","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118113","8.752","0.006","9.781","0.007","19.961","0.012","94.18","0.05","96.78","0.05","115.96","0.05","1510.7","1.9","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H31 F6 N3 O4 -","- C30 H31 F6 N3 O4 -","- C60 H62 F12 N6 O8 -","2","2","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1883","0.0577","","","0.1476","0.2153","","","","","","1.002","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118114","9.124","0.005","17.671","0.01","22.813","0.016","90","","94.6","0.05","90","","3666","4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H28 F12 N2 O5 -","- C35 H28 F12 N2 O5 -","- C140 H112 F48 N8 O20 -","4","1","","Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa","Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers","Journal of the American Chemical Society","2012","134","","9836","9839","10.1021/ja304806j","","x-ray","0.71069","MoKα","","0.1006","0.0387","","","0.0868","0.1126","","","","","","1.012","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118115","19.5457","0.0015","12.2406","0.001","15.4763","0.0014","90","","114.233","0.005","90","","3376.5","0.5","90","0.5","90","0.5","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 O5 -","- C24 H14 O5 -","- C192 H112 O40 -","8","1","","Martha Sibrian-Vazquez; Jorge O. Escobedo; Mark Lowry; Frank R. Fronczek; Robert M. Strongin","Field Effects Induce Bathochromic Shifts in Xanthene Dyes","Journal of the American Chemical Society","2012","134","","10502","10508","10.1021/ja302445w","","","1.54178","CuKα","","0.039","0.033","","","0.085","0.089","","","","","","1.053","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118116","7.6357","0.0005","10.2341","0.0007","15.8115","0.001","71.208","0.001","84.809","0.001","82.183","0.001","1157.41","0.13","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C58 H50 N2 O8 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.037","0.0338","","","0.0831","0.0856","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118117","10.8423","0.0006","15.7551","0.0008","11.7158","0.0006","90","","101.55","0.001","90","","1960.78","0.18","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C92 H84 N12 O16 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0401","0.0357","","","0.0908","0.0945","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118118","9.1978","0.0002","13.4682","0.0003","15.3589","0.0003","90","","90","","90","","1902.63","0.07","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","1.54187","CuKα","","","0.037","","","","0.0978","","","","","","1.085","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118119","12.382","0.003","12.774","0.003","16.134","0.004","67.262","0.003","87.161","0.003","67.91","0.003","2167","0.9","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 Cl2 N3 O8 -","- C52 H45 Cl2 N3 O8 -","- C104 H90 Cl4 N6 O16 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0845","0.0546","","","0.143","0.1613","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118120","10.9994","0.0013","11.0376","0.0013","15.942","0.003","94.613","0.002","93.838","0.002","114.641","0.001","1742.7","0.4","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H37 N5 O8 -","- C41 H37 N5 O8 -","- C82 H74 N10 O16 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0973","0.0761","","","0.2411","0.2914","","","","","","1.192","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118121","11.758","0.006","16.793","0.009","17.869","0.009","90","","90.858","0.007","90","","3528","3","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N2 O8 S2 -","- C40 H36 N2 O8 S2 -","- C160 H144 N8 O32 S8 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0713","0.0436","","","0.094","0.1078","","","","","","1.035","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118122","11.676","0.002","11.698","0.002","14.139","0.003","66.91","0.003","81.911","0.003","79.155","0.003","1740","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H37 N3 O8 S -","- C41 H37 N3 O8 S -","- C82 H74 N6 O16 S2 -","2","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","0.71073","MoKα","","0.0982","0.0663","","","0.1497","0.1686","","","","","","1.015","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118123","14.4589","0.0016","14.972","0.0018","21.711","0.003","87.903","0.005","76.771","0.004","70.003","0.004","4294.9","0.9","113","2","113","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H94 B2 Cl4 Cu2 F8 N10 -","- C90 H94 B2 Cl4 Cu2 F8 N10 -","- C180 H188 B4 Cl8 Cu4 F16 N20 -","2","1","","Michihiro Nishikawa; Kuniharu Nomoto; Shoko Kume; Hiroshi Nishihara","Reversible Copper(II)/(I) Electrochemical Potential Switching Driven by Visible Light-Induced Coordinated Ring Rotation","Journal of the American Chemical Society","2012","134","","10543","10553","10.1021/ja3028873","","","0.7107","MoKα","","","0.0805","","","","0.2408","","","","","","1.055","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118124","12.1259","0.0013","6.5546","0.0007","13.8267","0.0015","90","","104.705","0.001","90","","1063","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,4R,5S)-2-((benzyloxy)methyl)-4-((S)-(4-bromophenyl) (hydroxy)methyl)-5-ethyl-2-methylcyclopentane-1,3-dione","","","- C23 H25 Br O4 -","- C23 H25 Br O4 -","- C46 H50 Br2 O8 -","2","1","","Kohsuke Aikawa; Tatsuya Okamoto; Koichi Mikami","Copper(I)-Catalyzed Asymmetric Desymmetrization: Synthesis of Five-Membered-Ring Compounds Containing All-Carbon Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","10329","10332","10.1021/ja3032345","","","0.71073","MoKα","","0.0387","0.0335","","","0.081","0.1008","","","","","","1.093","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118125","10.435","0.0007","8.3916","0.0006","24.2782","0.0016","90","","91.363","0.002","90","","2125.4","0.3","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","(2S,4R,5S)-4-((S)-[1,1'-biphenyl]-4-yl(hydroxy)methyl) -5-ethyl-2-methyl-2-phenylcyclopentane-1,3-dione","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","2","","Kohsuke Aikawa; Tatsuya Okamoto; Koichi Mikami","Copper(I)-Catalyzed Asymmetric Desymmetrization: Synthesis of Five-Membered-Ring Compounds Containing All-Carbon Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","10329","10332","10.1021/ja3032345","","","0.71073","MoKα","","0.0904","0.0694","","","0.17","0.183","","","","","","1.094","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118126","13.4958","0.0011","14.3753","0.0012","17.9042","0.0017","71.056","0.003","75.038","0.003","67.531","0.003","3000","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H69 Fe O P4 -","- C74.5 H69 Fe O P4 -","- C149 H138 Fe2 O2 P8 -","2","1","","Christopher J. Adams; Robin B. Bedford; Emma Carter; Nicholas J. Gower; Mairi F. Haddow; Jeremy N. Harvey; Michael Huwe; M. Ángeles Cartes; Stephen M. Mansell; Carla Mendoza; Damien M. Murphy; Emily C. Neeve; Joshua Nunn","Iron(I) in Negishi Cross-Coupling Reactions","Journal of the American Chemical Society","2012","134","","10333","10336","10.1021/ja303250t","","","0.71073","MoKα","","0.0621","0.0415","","","0.1034","0.1169","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118127","25.3","0.001","25.2876","0.001","18.7836","0.0007","90","","94.248","0.002","90","","11984.3","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 Cl Fe O2 P4 -","- C60 H48 Cl Fe P4 -","- C480 H384 Cl8 Fe8 P32 -","8","1","","Christopher J. Adams; Robin B. Bedford; Emma Carter; Nicholas J. Gower; Mairi F. Haddow; Jeremy N. Harvey; Michael Huwe; M. Ángeles Cartes; Stephen M. Mansell; Carla Mendoza; Damien M. Murphy; Emily C. Neeve; Joshua Nunn","Iron(I) in Negishi Cross-Coupling Reactions","Journal of the American Chemical Society","2012","134","","10333","10336","10.1021/ja303250t","","","0.71073","MoKα","","0.0719","0.0451","","","0.12","0.1287","","","","","","1.006","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118128","65.292","0.009","10.4431","0.0013","42.546","0.006","90","","127.313","0.007","90","","23073","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.45 H66.9 Br Fe O2.36 P4 -","- C69.448 H66.896 Br Fe O2.362 P4 -","- C1111.17 H1070.34 Br16 Fe16 O37.792 P64 -","16","2","","Christopher J. Adams; Robin B. Bedford; Emma Carter; Nicholas J. Gower; Mairi F. Haddow; Jeremy N. Harvey; Michael Huwe; M. Ángeles Cartes; Stephen M. Mansell; Carla Mendoza; Damien M. Murphy; Emily C. Neeve; Joshua Nunn","Iron(I) in Negishi Cross-Coupling Reactions","Journal of the American Chemical Society","2012","134","","10333","10336","10.1021/ja303250t","","","0.71073","MoKα","","0.1311","0.0559","","","0.1225","0.1543","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118129","15.3","0.005","20.07","0.006","10.527","0.003","90","","108.105","0.004","90","","3072.5","1.6","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 B10 Co N O2 S4 -","- C16 H26 B10 Co N O2 S4 -","- C64 H104 B40 Co4 N4 O8 S16 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0914","0.0525","","","0.1041","0.1143","","","","","","0.824","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118130","16.6784","0.0018","15.9715","0.0017","10.6829","0.0012","90","","118.638","0.001","90","","2497.6","0.5","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H25 B10 Co O2 S4 -","- C15 H25 B10 Co O2 S4 -","- C60 H100 B40 Co4 O8 S16 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0767","0.0618","","","0.1452","0.1661","","","","","","1.081","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118131","14.55","0.007","8.957","0.004","15.106","0.007","90","","109.482","0.005","90","","1856","1.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B10 Co O2 S2 -","- C11 H19 B10 Co O2 S2 -","- C44 H76 B40 Co4 O8 S8 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0451","0.0377","","","0.1076","0.113","","","","","","1.038","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118132","11.537","0.003","14.299","0.003","21.519","0.005","91.374","0.003","102.151","0.004","101.032","0.003","3398.6","1.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H70 B20 Cl2 Co2 O9 S4 -","- C49 H70 B20 Cl2 Co2 O9 S4 -","- C98 H140 B40 Cl4 Co4 O18 S8 -","2","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0819","0.0508","","","0.0957","0.1011","","","","","","1.058","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118133","12.27","0.002","20.4427","0.0016","11.3772","0.0011","90","","106.603","0.002","90","","2734.8","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 B10 Co O4 S2 -","- C20 H31 B10 Co O4 S2 -","- C80 H124 B40 Co4 O16 S8 -","4","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.0937","0.064","","","0.1241","0.13","","","","","","1.093","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118134","24.766","0.003","12.8891","0.0015","25.154","0.004","90","","113.668","0.002","90","","7354.1","1.7","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 B20 Co O4 S4 -","- C22 H37 B20 Co O4 S4 -","- C176 H296 B160 Co8 O32 S32 -","8","1","","Rui Zhang; Lin Zhu; Guifeng Liu; Huimin Dai; Zhenzhong Lu; Jianbo Zhao; Hong Yan","Cobalt-Promoted B-H and C-H Activation: Facile B-C Coupling of Carboranedithiolate and Cyclopentadienyl","Journal of the American Chemical Society","2012","134","","10341","10344","10.1021/ja303334t","","","0.71073","MoKα","","0.1026","0.0459","","","0.0755","0.0892","","","","","","0.815","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118135","14.517","0.005","7.166","0.003","13.861","0.005","90","","109.016","0.006","90","","1363.3","0.9","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 -","- C38 H32 -","- C76 H64 -","2","0.5","","Daniel T. Chase; Aaron G. Fix; Seok Ju Kang; Bradley D. Rose; Christopher D. Weber; Yu Zhong; Lev N. Zakharov; Mark C. Lonergan; Colin Nuckolls; Michael M. Haley","6,12-Diarylindeno[1,2-b]fluorenes: Syntheses, Photophysics, and Ambipolar OFETs","Journal of the American Chemical Society","2012","134","","10349","10352","10.1021/ja303402p","","","0.71073","MoKα","","0.0617","0.0456","","","0.1095","0.1189","","","","","","1.065","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118136","13.0971","0.0009","13.5557","0.0009","18.2431","0.0012","89.216","0.004","88.444","0.003","88.19","0.003","3235.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C150 H156 Co2 N20 O12 -","2","1","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0744","0.0496","","","0.1276","0.1466","","","","","","1.084","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118137","18.586","0.004","19.17","0.004","18.316","0.004","90","","90.25","0.03","90","","6526","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0783","0.0477","","","0.1139","0.1226","","","","","","0.945","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118138","18.5681","0.0007","19.2564","0.0008","18.4497","0.0007","90","","90.169","0.002","90","","6596.7","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0911","0.0486","","","0.1266","0.1498","","","","","","1.013","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118139","18.711","0.002","19.566","0.003","18.725","0.003","90","","90.824","0.005","90","","6854.5","1.7","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1091","0.0606","","","0.1755","0.2052","","","","","","1.023","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118140","13.155","0.002","13.517","0.002","18.249","0.003","89.416","0.011","88.707","0.011","88.007","0.011","3242","0.9","80","2","80","2","","","","","","","","5","P -1","-P 1","2","[Co(TpivPP)(1-EtIm)(O2)]C6H6","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C150 H156 Co2 N20 O12 -","2","1","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1379","0.0869","","","0.2102","0.2403","","","","","","1.074","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118141","18.464","0.002","19.165","0.002","18.3257","0.0018","90","","90.082","0.004","90","","6484.8","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 Co N10 O6 -","- C75 H78 Co N10 O6 -","- C300 H312 Co4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1203","0.1028","","","0.2848","0.2974","","","","","","1.152","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118142","18.7514","0.0003","19.5309","0.0003","17.8719","0.0003","90","","91.065","0.001","90","","6544.13","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)(O2)]1.8EtOH","","","- C71.6 H80.8 Co N10 O7.8 -","- C71.6 H70 Co N10 O7.8 -","- C286.4 H280 Co4 N40 O31.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0676","0.0559","","","0.1591","0.1703","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118143","18.5678","0.0007","19.5594","0.0008","17.8219","0.0006","90","","90.954","0.002","90","","6471.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)0.4(O2)]2EtOH","","","- C72 H82 Co N10 O6.8 -","- C72 H70 Co N10 O6.8 -","- C288 H280 Co4 N40 O27.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0593","0.0509","","","0.1399","0.1512","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118144","18.9063","0.0005","19.6633","0.0005","18.3473","0.0005","90","","91.666","0.001","90","","6817.9","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)0.3(O2)]1.8EtOH","","","- C71.6 H80.8 Co N10 O6.4 -","- C71.6 H70 Co N10 O6.4 -","- C286.4 H280 Co4 N40 O25.6 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.1219","0.0758","","","0.2301","0.2646","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118145","18.6326","0.0003","19.6158","0.0003","17.905","0.0003","90","","90.879","0.001","90","","6543.39","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TpivPP)(2-MeIm)]1.8EtOH","","","- C71.6 H82 Co N10 O5.8 -","- C71.6 H70 Co N10 O5.8 -","- C286.4 H280 Co4 N40 O23.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt","Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins","Journal of the American Chemical Society","2012","134","","10595","10606","10.1021/ja303475a","","","0.71073","MoKα","","0.0733","0.0572","","","0.1633","0.1776","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118146","24.4424","0.0012","29.282","0.002","30.7048","0.0013","90","","90","","90","","21976","2","293","2","293","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C64 H56 Cl3 Mn6 N8 O24 -","- C64 H48 Cl3 Mn6 N8 O24 -","- C512 H384 Cl24 Mn48 N64 O192 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.101","0.0766","","","0.1891","0.2104","","","","","","1.259","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118147","24.0125","0.0012","28.8745","0.0017","31.348","0.002","90","","90","","90","","21735","2","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C52 H36 Cl2 Mn5 N4 Ni O24 -","- C52 H20 Cl2 Mn5 N4 Ni O24 -","- C416 H160 Cl16 Mn40 N32 Ni8 O192 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.1142","0.098","","","0.2277","0.2472","","","","","","1.017","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118148","24.135","0.007","29.2","0.009","31.833","0.009","90","","90","","90","","22434","11","293","2","293","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C52 H32 Cd5 Cl3 Mn N4 O22 -","- C52 H20 Cd5 Cl3 Mn N4 O22 -","- C416 H160 Cd40 Cl24 Mn8 N32 O176 -","8","0.25","","Xiu-Li Yang; Ming-Hua Xie; Chao Zou; Yabing He; Banglin Chen; Michael O'Keeffe; Chuan-De Wu","Porous Metalloporphyrinic Frameworks Constructed from Metal 5,10,15,20-Tetrakis(3,5-biscarboxylphenyl)porphyrin for Highly Efficient and Selective Catalytic Oxidation of Alkylbenzenes","Journal of the American Chemical Society","2012","134","","10638","10645","10.1021/ja303728c","","","1.54178","CuKα","","0.2568","0.1054","","","0.1821","0.2231","","","","","","0.804","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118149","6.5109","0.0004","11.2402","0.0006","9.7941","0.0005","90","","105.228","0.003","90","","691.6","0.07","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum(III) Borate Chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0173","0.0166","","","0.0349","0.0353","","","","","","1.03","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118150","6.5079","0.0009","11.2082","0.0016","9.7133","0.0014","90","","105.25","0.007","90","","683.56","0.17","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cerium(III) Borate Chloride","","","- B4 Ce Cl O8 -","- B4 Ce Cl O8 -","- B16 Ce4 Cl4 O32 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0173","0.0169","","","0.0389","0.0391","","","","","","1.103","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118151","10.448","0.003","6.4192","0.0018","23.051","0.006","90","","97.22","0.003","90","","1533.7","0.7","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Samarium(III) Borate Chloride","","","- B18 Cl3 O38 Sm4 -","- B18 Cl3 O38 Sm4 -","- B36 Cl6 O76 Sm8 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0601","0.0398","","","0.0851","0.093","","","","","","1.042","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118152","10.4397","0.0003","6.4189","0.0002","23.0367","0.0006","90","","97.196","0.002","90","","1531.56","0.08","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Europium(III) Borate Chloride","","","- B18 Cl3 Eu4 O38 -","- B18 Cl3 Eu4 O38 -","- B36 Cl6 Eu8 O76 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0441","0.0288","","","0.0543","0.0574","","","","","","0.904","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118153","8.346","0.019","8.346","0.019","20.58","0.08","90","","90","","120","","1241","6","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","Yttrium(III) Borate Chloride","","","- B6 O12 Y -","- B6 O12 Y -","- B36 O72 Y6 -","6","0.333333","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0311","0.0273","","","0.0626","0.0654","","","","","","1.055","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118154","6.4898","0.0012","11.174","0.002","9.6183","0.0017","90","","105.15","0.002","90","","673.2","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Plutonium(III) borate chloride","","","- B4 Cl O8 Pu -","- B4 Cl O8 Pu -","- B16 Cl4 O32 Pu4 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.026","0.0227","","","0.0406","0.0416","","","","","","0.996","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118155","8.0522","0.0017","14.568","0.003","9.82","0.002","90","","90.12","0.002","90","","1151.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Plutonium(III) borate chloride","","","- B13 Cl2 O27 Pu2 -","- B13 Cl2 O27 Pu2 -","- B26 Cl4 O54 Pu4 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0563","0.0547","","","0.1277","0.1284","","","","","","1.356","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118156","7.703","0.0015","16.688","0.003","9.872","0.002","90","","90.073","0.006","90","","1269","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Americium(III) borate","","","- Am B9 O18 -","- Am B9 O18 -","- Am4 B36 O72 -","4","1","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0155","0.0143","","","0.0364","0.037","","","","","","1.103","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118157","7.9561","0.0017","14.212","0.003","9.836","0.002","90","","90.013","0.002","90","","1112.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Curium(III) borate chloride","","","- B14 Cl Cm2 O29 -","- B14 Cl Cm2 O29 -","- B28 Cl2 Cm4 O58 -","2","0.5","","Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt","Differentiating between Trivalent Lanthanides and Actinides","Journal of the American Chemical Society","2012","134","","10682","10692","10.1021/ja303804r","","","0.71073","MoKα","","0.0608","0.057","","","0.127","0.1302","","","","","","1.276","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118158","13.7772","0.0009","9.085","0.0002","13.841","0.0009","90","","152.431","0.011","90","","801.8","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 Br N2 O4 -","- C15 H17 Br N2 O4 -","- C30 H34 Br2 N4 O8 -","2","1","","Aurélien Alix; Claudia Lalli; Pascal Retailleau; Géraldine Masson","Highly Enantioselective Electrophilic α-Bromination of Enecarbamates: Chiral Phosphoric Acid and Calcium Phosphate Salt Catalysts","Journal of the American Chemical Society","2012","134","","10389","10392","10.1021/ja304095z","","","1.54187","CuKα","","0.0322","0.0298","","","0.0753","0.0793","","","","","","1.059","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118159","11.9228","0.0003","12.6026","0.0004","14.6366","0.0004","93.9513","0.0011","101.734","0.0015","114.692","0.0014","1926.94","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 B F15 Sc -","- C41 H34 B F15 Sc -","- C82 H68 B2 F30 Sc2 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez; Ludovic Castro; Laurent Maron; Odile Eisenstein","Carbon Monoxide Activation via O-Bound CO Using Decamethylscandocinium-Hydridoborate Ion Pairs","Journal of the American Chemical Society","2012","134","","10843","10851","10.1021/ja300591v","","","0.71073","MoKα","","0.0631","0.0536","","","0.1313","0.1397","","","","","","1.043","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118160","10.6944","0.0005","12.3689","0.0005","14.744","0.0007","100.107","0.003","99.133","0.002","106.462","0.002","1795.89","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 B F15 O Sc -","- C39 H31 B F15 O Sc -","- C78 H62 B2 F30 O2 Sc2 -","2","1","","Andreas Berkefeld; Warren E. Piers; Masood Parvez; Ludovic Castro; Laurent Maron; Odile Eisenstein","Carbon Monoxide Activation via O-Bound CO Using Decamethylscandocinium-Hydridoborate Ion Pairs","Journal of the American Chemical Society","2012","134","","10843","10851","10.1021/ja300591v","","","0.71073","MoKα","","0.1422","0.09","","","0.1517","0.1831","","","","","","1.141","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118161","11.937","0.002","12.301","0.003","19.403","0.004","84.41","0.03","84.81","0.03","66.45","0.03","2595.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Si8 Sn Ti -","- C32 H73 P Si8 Sn Ti -","- C64 H146 P2 Si16 Sn2 Ti2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.0404","0.0341","","","0.0869","0.0894","","","","","","1.052","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118162","11.97","0.002","12.369","0.003","19.643","0.004","84.07","0.03","84.17","0.03","66.45","0.03","2646","1.1","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Si8 Sn Zr -","- C32 H73 P Si8 Sn Zr -","- C64 H146 P2 Si16 Sn2 Zr2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.076","0.0567","","","0.1245","0.1315","","","","","","1.025","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118163","11.903","0.002","12.278","0.003","19.495","0.004","84.47","0.03","84.22","0.03","66.37","0.03","2592","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 Hf P Si8 Sn -","- C32 H73 Hf P Si8 Sn -","- C64 H146 Hf2 P2 Si16 Sn2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.0945","0.0652","","","0.1404","0.1498","","","","","","1.012","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118164","11.95","0.002","12.274","0.003","19.463","0.004","84.78","0.03","84.62","0.03","66.66","0.03","2605","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Pb Si8 Ti -","- C32 H73 P Pb Si8 Ti -","- C64 H146 P2 Pb2 Si16 Ti2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.0388","0.0354","","","0.0849","0.0869","","","","","","0.846","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118165","11.983","0.002","12.362","0.003","19.723","0.004","84.33","0.03","84.13","0.03","66.64","0.03","2662.7","1.1","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 P Pb Si8 Zr -","- C32 H73 P Pb Si8 Zr -","- C64 H146 P2 Pb2 Si16 Zr2 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.125","0.0952","","","0.1904","0.2038","","","","","","1.086","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118166","11.96","0.002","12.314","0.003","19.595","0.004","84.66","0.03","84.17","0.03","66.45","0.03","2627.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 Hf P Pb Si8 -","- C32 H73 Hf P Pb Si8 -","- C64 H146 Hf2 P2 Pb2 Si16 -","2","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.1179","0.0892","","","0.1808","0.1932","","","","","","1.132","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118167","25.784","0.005","27.759","0.006","13.721","0.003","90","","103.55","0.03","90","","9547","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H134 N Si18 Sn2 Ti2 -","- C58 H134 N Si18 Sn2 Ti2 -","- C232 H536 N4 Si72 Sn8 Ti8 -","4","1","","Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller","Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes","Journal of the American Chemical Society","2012","134","","10864","10875","10.1021/ja301547x","","","0.71073","MoKα","","0.1291","0.0733","","","0.1298","0.1471","","","","","","0.991","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118168","4.1371","0.0007","4.1371","0.0007","21.477","0.004","90","","90","","90","","367.59","0.11","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C2 F O2 Pb -","- C2 F O2 Pb -","- C8 F4 O8 Pb4 -","4","0.25","","Honghan Fei; Catherine H. Pham; Scott R. J. Oliver","Anion Exchange of the Cationic Layered Material [Pb2F2]2+","Journal of the American Chemical Society","2012","134","","10729","10732","10.1021/ja3017686","","","0.71073","MoKα","","0.0178","0.0176","","","0.0506","0.0508","","","","","","1.245","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118169","4.116","0.003","4.116","0.003","24.003","0.015","90","","90","","90","","406.6","0.5","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C5 H6 F2 O4 Pb2 -","- C5 F2 O4 Pb2 -","- C10 F4 O8 Pb4 -","2","0.125","","Honghan Fei; Catherine H. Pham; Scott R. J. Oliver","Anion Exchange of the Cationic Layered Material [Pb2F2]2+","Journal of the American Chemical Society","2012","134","","10729","10732","10.1021/ja3017686","","","0.71073","MoKα","","0.02","0.019","","","0.0461","0.0476","","","","","","1.163","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118170","20.4048","0.0018","24.623","0.002","21.1059","0.0017","90","","110.876","0.003","90","","9908.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H127 N13 O3 S -","- C112 H127 N13 O3 S -","- C448 H508 N52 O12 S4 -","4","1","","Virginia Valderrey; Eduardo C. Escudero-Adán; Pablo Ballester","Polyatomic Anion Assistance in the Assembly of [2]Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","10733","10736","10.1021/ja301900s","","","0.71073","MoKα","","0.2779","0.1373","","","0.3502","0.4406","","","","","","1.036","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118171","10.7378","0.0018","22.469","0.004","18.161","0.003","90","","106.645","0.005","90","","4198.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C202 H200 N28 O6 -","- C202 H200 N28 O6 -","- C202 H200 N28 O6 -","1","0.25","","Virginia Valderrey; Eduardo C. Escudero-Adán; Pablo Ballester","Polyatomic Anion Assistance in the Assembly of [2]Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","10733","10736","10.1021/ja301900s","","","0.71073","MoKα","","0.1649","0.1291","","","0.327","0.348","","","","","","1.137","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118172","10.7481","0.0009","22.503","0.002","18.018","0.0016","90","","105.8","0.003","90","","4193.3","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 N14 -","- C96 H94 N14 -","- C192 H188 N28 -","2","0.5","","Virginia Valderrey; Eduardo C. Escudero-Adán; Pablo Ballester","Polyatomic Anion Assistance in the Assembly of [2]Pseudorotaxanes","Journal of the American Chemical Society","2012","134","","10733","10736","10.1021/ja301900s","","","0.71073","MoKα","","0.0813","0.0566","","","0.1473","0.1647","","","","","","1.026","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118173","6.3965","0.0015","17.194","0.004","16.729","0.004","90","","92.658","0.008","90","","1837.9","0.7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(cyclohexylisocyanide)gold(I) hexafluoroarsenate","","","- C14 H22 As Au F6 N2 -","- C14 H22 As Au F6 N2 -","- C56 H88 As4 Au4 F24 N8 -","4","1","","Mark A. Malwitz; Sang Ho Lim; Rochelle L. White-Morris; David M. Pham; Marilyn M. Olmstead; Alan L. Balch","Crystallization and Interconversions of Vapor-Sensitive, Luminescent Polymorphs of [(C6H11NC)2AuI](AsF6) and [(C6H11NC)2AuI](PF6)","Journal of the American Chemical Society","2012","134","","10885","10893","10.1021/ja302025m","","","0.71073","MoKα","","0.0241","0.0198","","","0.0488","0.0501","","","","","","1.163","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118174","11.7708","0.0012","12.4924","0.0013","14.783","0.003","113.248","0.002","106.757","0.002","91.716","0.002","1886.8","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","[Au(CNCy)~2~][AsF~6~] yellow polymorph","","","- C14 H22 As Au F6 N2 -","- C14 H22 As Au F6 N2 -","- C56 H88 As4 Au4 F24 N8 -","4","2","","Mark A. Malwitz; Sang Ho Lim; Rochelle L. White-Morris; David M. Pham; Marilyn M. Olmstead; Alan L. Balch","Crystallization and Interconversions of Vapor-Sensitive, Luminescent Polymorphs of [(C6H11NC)2AuI](AsF6) and [(C6H11NC)2AuI](PF6)","Journal of the American Chemical Society","2012","134","","10885","10893","10.1021/ja302025m","","","0.71073","MoKα","","0.0748","0.0575","","","0.1555","0.1641","","","","","","1.072","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118175","25.6869","0.0008","15.1248","0.0005","21.3153","0.0006","90","","97.368","0.002","90","","8212.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C3v(134)-C94.Ni(OEP).2toluene","","","- C144 H60 N4 Ni Sm -","- C141.022 H57.4 N4 Ni Sm0.9987 -","- C564.088 H229.6 N16 Ni4 Sm3.9948 -","4","0.5","","Hongxiao Jin; Hua Yang; Meilan Yu; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94","Journal of the American Chemical Society","2012","134","","10933","10941","10.1021/ja302859r","","","0.7749","synchrotron","","0.0568","0.0517","","","0.146","0.1523","","","","","","1.05","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118176","47.306","0.004","15.084","0.0012","25.625","0.002","90","","117.664","0.002","90","","16195","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sm@Cs(24)-C92.Ni(OEP).1.6toluene.0.4benzene","","","- C141.6 H59.2 N4 Ni Sm -","- C141.6 H59.2 N4 Ni Sm -","- C1132.8 H473.6 N32 Ni8 Sm8 -","8","1","","Hongxiao Jin; Hua Yang; Meilan Yu; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94","Journal of the American Chemical Society","2012","134","","10933","10941","10.1021/ja302859r","","","0.71073","MoKα","","0.1502","0.1203","","","0.3335","0.352","","","","","","2.493","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118177","25.5517","0.0007","15.3002","0.0004","20.8629","0.0006","90","","95.307","0.004","90","","8121.3","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@(C1-42-C92).NiOEP.2toluene","","","- C142 H60 N4 Ni Sm -","- C139.5 H57 N4 Ni Sm -","- C558 H228 N16 Ni4 Sm4 -","4","0.5","","Hongxiao Jin; Hua Yang; Meilan Yu; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94","Journal of the American Chemical Society","2012","134","","10933","10941","10.1021/ja302859r","","","0.71073","MoKα","","0.0853","0.0603","","","0.1615","0.1813","","","","","","1.037","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118178","7.9626","0.0003","36.6534","0.0011","5.6635","0.0002","90","","90","","90","","1652.93","0.1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C64 H76 Br4 O12 -","4","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0401","0.0368","","","0.0913","0.0926","","","","","","1.089","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118179","11.1117","0.0005","5.5288","0.0003","14.6321","0.0007","90","","104.084","0.002","90","","871.89","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0258","0.0254","","","0.0692","0.0697","","","","","","1.013","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118180","5.7546","0.0012","12.147","0.002","12.151","0.002","104.48","0.02","90.08","0.03","90.16","0.03","822.4","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C38 H48 O6 -","2","2","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.03","0.0299","","","0.086","0.0861","","","","","","1.02","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118181","5.5849","0.0004","9.4558","0.0006","9.9361","0.0007","116.623","0.005","94.611","0.006","90.704","0.004","466.88","0.06","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C21 H28 O3 -","1","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0484","0.0448","","","0.1175","0.1214","","","","","","1.048","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118182","5.4496","0.0004","13.7116","0.0008","25.4795","0.0015","90","","90","","90","","1903.9","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 O3 -","- C84 O12 -","4","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0999","0.0841","","","0.2394","0.2531","","","","","","1.895","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118183","9.7036","0.0005","16.2275","0.0017","22.5692","0.0011","80.041","0.002","87.649","0.006","86.36","0.004","3491.6","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H108 F6 N12 O22 Pd2 S2 -","- C114 H108 F6 N12 O22 Pd2 S2 -","- C114 H108 F6 N12 O22 Pd2 S2 -","1","0.5","","Ryo Sekiya; Morihiko Fukuda; Reiko Kuroda","Anion-Directed Formation and Degradation of an Interlocked Metallohelicate","Journal of the American Chemical Society","2012","134","","10987","10997","10.1021/ja303634u","","x-ray","0.71073","MoKα","","0.1935","0.1139","","","0.3","0.3284","","","","","","0.962","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118184","6.275","0.004","7.387","0.003","16.399","0.007","90","","94.918","0.011","90","","757.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H14 Br F3 O3 -","- C15 H14 Br F3 O3 -","- C30 H28 Br2 F6 O6 -","2","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Electrophilic Trifluoromethylation of β-Ketoesters","Journal of the American Chemical Society","2012","134","","10769","10772","10.1021/ja3039773","","x-ray","0.71073","MoKα","","0.0386","0.031","","","0.0625","0.0649","","","","","","1.036","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118185","9.49361","0.00019","9.58111","0.0002","11.7944","0.0002","84.2465","0.0016","66.5081","0.0018","75.4175","0.0017","952.2","0.04","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 F3 O3 -","- C20 H25 F3 O3 -","- C40 H50 F6 O6 -","2","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Electrophilic Trifluoromethylation of β-Ketoesters","Journal of the American Chemical Society","2012","134","","10769","10772","10.1021/ja3039773","","x-ray","1.5418","CuKα","","0.0417","0.0409","","","0.1101","0.1111","","","","","","1.035","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118186","11.2716","0.0002","11.5021","0.0002","19.3305","0.0004","90","","100.093","0.001","90","","2467.36","0.08","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 B N2 -","- C31 H31 B N2 -","- C124 H124 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.0525","0.0421","","","0.1015","0.1078","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118187","12.848","0.011","13.839","0.012","13.201","0.011","90","","92.276","0.011","90","","2345","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 B N2 -","- C28 H31 B N2 -","- C112 H124 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.3843","0.092","","","0.1703","0.2875","","","","","","0.919","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118188","11.9281","0.0008","13.8623","0.001","15.7265","0.0011","90","","103.307","0.001","90","","2530.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 B N2 -","- C32 H33 B N2 -","- C128 H132 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.0698","0.0478","","","0.1102","0.1221","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118189","11.3963","0.0009","11.0691","0.0008","19.3717","0.0013","90","","93.13","0.005","90","","2440","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 B N2 -","- C32 H33 B N2 -","- C128 H132 B4 N8 -","4","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.1995","0.0726","","","0.1383","0.1853","","","","","","0.924","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118190","12.909","0.004","11.611","0.004","30.691","0.009","90","","100.955","0.006","90","","4516","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 B N2 -","- C27 H29 B N2 -","- C216 H232 B8 N16 -","8","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.1708","0.0937","","","0.1971","0.2343","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118191","25.6","0.003","14.6115","0.0013","13.2509","0.0011","90","","90","","90","","4956.6","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H31 B N2 -","- C28 H31 B N2 -","- C224 H248 B8 N16 -","8","1","","Ying-Li Rao; Leanne D. Chen; Nicholas J. Mosey; Suning Wang","Stepwise Intramolecular Photoisomerization of NHC-Chelate Dimesitylboron Compounds with C-C Bond Formation and C-H Bond Insertion","Journal of the American Chemical Society","2012","134","","11026","11034","10.1021/ja304211v","","","0.71073","MoKα","","0.2249","0.0942","","","0.1951","0.2476","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118192","8.1624","0.0013","13.199","0.002","17.708","0.003","108.26","0.002","92.017","0.002","93.497","0.002","1805.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H56 O4 Si2 -","- C35 H56 O4 Si2 -","- C70 H112 O8 Si4 -","2","1","","Sang Young Yun; Kung-Pern Wang; Mansuk Kim; Daesung Lee","Nonmetathetic Activity of Ruthenium Alkylidene Complexes: 1,4-Hydrovinylative Cyclization of Multiynes with Ethylene","Journal of the American Chemical Society","2012","134","","10783","10786","10.1021/ja304255h","","","0.71073","MoKα","","0.0543","0.0374","","","0.1093","0.1297","","","","","","0.781","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118193","12.965","0.004","11.375","0.003","22.117","0.007","90","","91.863","0.014","90","","3260","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","PSF-IV-271","hartwig07","","- C25 H46 Cu F3 N4 O4 S -","- C25 H46 Cu F3 N4 O4 S -","- C100 H184 Cu4 F12 N16 O16 S4 -","4","1","","Patrick S. Fier; John F. Hartwig","Copper-Mediated Fluorination of Aryl Iodides","Journal of the American Chemical Society","2012","134","","10795","10798","10.1021/ja304410x","","","0.71073","MoKα","","0.0335","0.0257","","","0.0632","0.0671","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118194","9.2021","0.0003","10.0062","0.0004","17.8241","0.0006","90","","90","","90","","1641.21","0.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","PSF-IV-257","hartwig08","","- C11 H18 Cu F3 N2 O3 S -","- C11 H18 Cu F3 N2 O3 S -","- C44 H72 Cu4 F12 N8 O12 S4 -","4","1","","Patrick S. Fier; John F. Hartwig","Copper-Mediated Fluorination of Aryl Iodides","Journal of the American Chemical Society","2012","134","","10795","10798","10.1021/ja304410x","","","0.71073","MoKα","","0.025","0.0227","","","0.0516","0.0526","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118195","9.387","0.006","14.868","0.009","10.007","0.006","90","","117.318","0.009","90","","1240.9","1.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.0663","0.0565","","","0.1513","0.1623","","","","","","1.062","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118196","12.291","0.007","14.645","0.008","9.589","0.006","90","","97.98","0.02","90","","1709.3","1.7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.253","0.0915","","","0.1813","0.2772","","","","","","1.072","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118197","6.231","0.002","7.756","0.003","26.639","0.01","90","","90","","90","","1287.4","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl O -","- C15 H17 Cl O -","- C60 H68 Cl4 O4 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.0326","0.0314","","","0.086","0.0874","","","","","","1.018","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118198","11.214","0.002","12.161","0.002","21.67","0.004","87.342","0.003","81.058","0.003","65.693","0.003","2660","0.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H96 O10 Rh2 -","- C48 H96 O10 Rh2 -","- C96 H192 O20 Rh4 -","2","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.075","0.05","","","0.1114","0.1255","","","","","","1.017","","","","has coordinates,has disorder","178952","2020-10-21","18:00:00",""
"4118199","15.83","0.008","7.718","0.004","9.003","0.004","90","","90","","90","","1099.9","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H15 Cl3 Cu N2 O -","- C6 H15 Cl3 Cu N2 O -","- C24 H60 Cl12 Cu4 N8 O4 -","4","1","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0184","0.0181","","","0.0532","0.0533","","","","","","1.097","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118200","15.729","0.003","9.041","0.0018","7.7954","0.0016","90","","90","","90","","1108.6","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H15 Cl3 Cu N2 O -","- C6 H15 Cl3 Cu N2 O -","- C24 H60 Cl12 Cu4 N8 O4 -","4","0.5","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0329","0.0315","","","0.0761","0.0769","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118201","15.847","0.007","7.682","0.003","8.976","0.004","90","","90","","90","","1092.7","0.8","93","2","93","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H12 Cl3 Cu D3 N2 O -","- C6 H12 Cl3 Cu D3 N2 O -","- C24 H48 Cl12 Cu4 D12 N8 O4 -","4","1","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0201","0.0197","","","0.0477","0.0479","","","","","","1.053","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118202","15.818","0.003","9.095","0.0018","7.85","0.0016","90","","90","","90","","1129.3","0.4","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H12 Cl3 Cu D3 N2 O -","- C6 H12 Cl3 Cu D3 N2 O -","- C24 H48 Cl12 Cu4 D12 N8 O4 -","4","0.5","","Yi Zhang; Wen Zhang; Shen-Hui Li; Qiong Ye; Hong-Ling Cai; Feng Deng; Ren-Gen Xiong; Songping D. Huang","Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor","Journal of the American Chemical Society","2012","134","","11044","11049","10.1021/ja3047427","","","0.71073","MoKα","","0.0297","0.0275","","","0.0666","0.0677","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118203","13.891","0.002","10.0196","0.0018","22.79","0.002","90","","90","","90","","3172","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H22 Br N O5 S -","- C12 H22 Br N O5 S -","- C96 H176 Br8 N8 O40 S8 -","8","1","","Christopher S. Adams; Luke A. Boralsky; Ilia A. Guzei; Jennifer M. Schomaker","Modular Functionalization of Allenes to Aminated Stereotriads","Journal of the American Chemical Society","2012","134","","10807","10810","10.1021/ja304859w","","","1.54178","CuKα","","0.0409","0.0345","","","0.0814","0.0853","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118204","8.3944","0.0003","9.6158","0.0005","12.7663","0.0006","74.492","0.001","71.769","0.002","79.369","0.001","937.38","0.07","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H42 Br N O5 S -","- C44 H42 Br N O5 S -","- C44 H42 Br N O5 S -","1","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0574","0.0432","","","0.1063","0.138","","","","","","1.085","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118205","9.4628","0.0004","10.2341","0.0008","10.2812","0.0005","114.352","0.003","116.121","0.002","94.339","0.003","773.13","0.09","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H31 N O4 S -","- C39 H31 N O4 S -","- C39 H31 N O4 S -","1","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0389","0.0361","","","0.0897","0.0918","","","","","","1.063","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118206","8.6399","0.0002","8.7456","0.0003","21.0282","0.0006","90","","101.385","0.001","90","","1557.65","0.08","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H33 N O4 S -","- C36 H33 N O4 S -","- C72 H66 N2 O8 S2 -","2","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0553","0.0453","","","0.1054","0.1155","","","","","","1.055","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118207","10.7247","0.0004","10.7247","0.0004","50.097","0.002","90","","90","","120","","4990.1","0.3","103","2","103","2","","","","","","","","5","P 65","P 65","170","","","","- C41 H35 N O4 S -","- C41 H35 N O4 S -","- C246 H210 N6 O24 S6 -","6","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0769","0.0581","","","0.134","0.1524","","","","","","1.116","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118208","11.8176","0.0005","14.2902","0.0005","19.048","0.0009","90","","90","","90","","3216.7","0.2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 D N O4 S -","- C40 H33 N O4 S -","- C160 H132 N4 O16 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0556","0.0449","","","0.1054","0.1109","","","","","","1.04","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118209","9.5692","0.0007","20.1333","0.0017","28.937","0.002","90","","90","","90","","5575","0.7","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C60.5 H60 Au Cl N O4 P S -","- C60.5 H60 Au Cl N O4 P S -","- C242 H240 Au4 Cl4 N4 O16 P4 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0741","0.0472","","","0.1021","0.1253","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118210","9.5871","0.0004","17.2928","0.001","20.7027","0.0012","90","","90","","90","","3432.3","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H35 N O4 S -","- C45 H35 N O4 S -","- C180 H140 N4 O16 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0559","0.0433","","","0.1021","0.1161","","","","","","1.087","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118211","11.8294","0.0005","14.2973","0.0005","19.0353","0.0007","90","","90","","90","","3219.4","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H33.5 N O4.25 S -","- C40 H33.5 N O4.25 S -","- C160 H134 N4 O17 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0876","0.0757","","","0.1693","0.1824","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118212","26.035","0.003","9.9696","0.001","8.196","0.0008","90","","95.412","0.002","90","","2117.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F6 N2 O4 -","- C22 H16 F6 N2 O4 -","- C88 H64 F24 N8 O16 -","4","1","","Ge-Fei Hao; Fu Wang; Hui Li; Xiao-Lei Zhu; Wen-Chao Yang; Li-Shar Huang; Jia-Wei Wu; Edward A. Berry; Guang-Fu Yang","Computational Discovery of Picomolar Qo Site Inhibitors of Cytochrome bc1 Complex","Journal of the American Chemical Society","2012","134","","11168","11176","10.1021/ja3001908","","","0.71073","MoKα","","0.1219","0.0703","","","0.1467","0.1656","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118213","12.0588","0.0006","16.9746","0.0009","13.2038","0.0007","90","","112.895","0.001","90","","2489.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F12 N O3 W -","- C23 H19 F12 N O3 W -","- C92 H76 F48 N4 O12 W4 -","4","1","","Matthew E. O'Reilly; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","A New ONO3-Trianionic Pincer-Type Ligand for Generating Highly Nucleophilic Metal-Carbon Multiple Bonds","Journal of the American Chemical Society","2012","134","","11185","11195","10.1021/ja302222s","","","0.71073","MoKα","","0.03","0.0187","","","0.0338","0.0352","","","","","","0.901","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118214","8.5483","0.0003","9.4574","0.0003","19.5076","0.0006","86.891","0.002","82.183","0.002","70.699","0.002","1474.54","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26.94 Br0.03 F12 N O3 W -","- C27 H26 Br0.03 F12 N O3 W -","- C54 H52 Br0.06 F24 N2 O6 W2 -","2","1","","Matthew E. O'Reilly; Ion Ghiviriga; Khalil A. Abboud; Adam S. Veige","A New ONO3-Trianionic Pincer-Type Ligand for Generating Highly Nucleophilic Metal-Carbon Multiple Bonds","Journal of the American Chemical Society","2012","134","","11185","11195","10.1021/ja302222s","","","0.71073","MoKα","","0.0337","0.0251","","","0.0476","0.0503","","","","","","1.05","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118215","13.567","0.0012","15.9004","0.0013","12.846","0.001","90","","98.956","0.005","90","","2737.4","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 N4 S5 -","- C30 H16 N4 S5 -","- C120 H64 N16 S20 -","4","0.5","","Roland Fitzner; Elena Mena-Osteritz; Amaresh Mishra; Gisela Schulz; Egon Reinold; Matthias Weil; Christian Körner; Hannah Ziehlke; Chris Elschner; Karl Leo; Moritz Riede; Martin Pfeiffer; Christian Uhrich; Peter Bäuerle","Correlation of π-Conjugated Oligomer Structure with Film Morphology and Organic Solar Cell Performance","Journal of the American Chemical Society","2012","134","","11064","11067","10.1021/ja302320c","","","0.71073","MoKα","","0.0803","0.0574","","","0.137","0.1527","","","","","","1.081","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118216","15.3726","0.0006","16.4674","0.0008","17.1716","0.0006","90","","105.749","0.002","90","","4183.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H35 F3 N2 O3 -","- C31 H35 F3 N2 O3 -","- C186 H210 F18 N12 O18 -","6","3","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0858","0.0409","","","0.0849","0.1045","","","","","","0.975","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118217","9.2509","0.0006","15.2491","0.0015","15.8315","0.0015","90","","90","","90","","2233.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cl F3 O2 -","- C11 H10 Cl F3 O2 -","- C88 H80 Cl8 F24 O16 -","8","2","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.098","0.0464","","","0.0667","0.0784","","","","","","0.974","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118218","20.563","0.0018","5.9491","0.0005","19.7934","0.0018","90","","109.926","0.003","90","","2276.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl F3 O2 -","- C11 H10 Cl F3 O2 -","- C88 H80 Cl8 F24 O16 -","8","1","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0683","0.0378","","","0.0852","0.0958","","","","","","0.951","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118219","8.8952","0.0009","7.6628","0.0005","16.6493","0.0016","90","","117.473","0.005","90","","1006.87","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F3 N O -","- C10 H10 F3 N O -","- C40 H40 F12 N4 O4 -","4","1","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.0911","0.0426","","","0.0685","0.0798","","","","","","1.011","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118220","11.1381","0.0002","13.5002","0.0003","16.7786","0.0003","83.763","0.001","73.921","0.001","70.688","0.001","2287.43","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C55 H54 O12 -","- C55 H54 O12 -","- C110 H108 O24 -","2","1","","Shinji Ando; Eisuke Ohta; Atsuko Kosaka; Daisuke Hashizume; Hiroyuki Koshino; Takanori Fukushima; Takuzo Aida","Remarkable Effects of Terminal Groups and Solvents on Helical Folding of o-Phenylene Oligomers","Journal of the American Chemical Society","2012","134","","11084","11087","10.1021/ja303117z","","","1.54187","CuKα","","0.0345","0.0321","","","0.0807","0.0823","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118221","12.501","0.0011","15.3747","0.0015","16.5206","0.0016","78.999","0.005","76.081","0.005","75.721","0.005","2957.5","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H68 N2 O16 -","- C68 H68 N2 O16 -","- C136 H136 N4 O32 -","2","1","","Shinji Ando; Eisuke Ohta; Atsuko Kosaka; Daisuke Hashizume; Hiroyuki Koshino; Takanori Fukushima; Takuzo Aida","Remarkable Effects of Terminal Groups and Solvents on Helical Folding of o-Phenylene Oligomers","Journal of the American Chemical Society","2012","134","","11084","11087","10.1021/ja303117z","","","0.71073","MoKα","","0.0924","0.0664","","","0.1578","0.1779","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118222","23.9264","0.0008","19.2244","0.0007","39.5966","0.0014","90","","96.328","0.002","90","","18102.3","1.1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C167 H157 Cl15 N34 O30 -","- C167 H157 Cl15 N34 O30 -","- C668 H628 Cl60 N136 O120 -","4","1","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","1.5418","CuKα","","0.2598","0.1385","","","0.3745","0.4317","","","","","","1.153","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118223","40.8514","0.0009","37.8785","0.0012","31.65","0.0009","90","","90.577","0.001","90","","48972","2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C160 H160 Cl9 N40 O40 -","- C207 H162 Cl3 N41 O33 -","- C1656 H1296 Cl24 N328 O264 -","8","2","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","1.5418","CuKα","","0.2941","0.1733","","","0.4277","0.4867","","","","","","1.129","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118224","45.603","0.009","20.476","0.004","38.07","0.008","90","","121.73","0.03","90","","30235","14","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C276 H264 Cl6 N50 O42 -","- C276 H264 Cl6 N50 O42 -","- C1104 H1056 Cl24 N200 O168 -","4","0.5","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","1.54178","CuKα","","0.1533","0.1183","","","0.349","0.3827","","","","","","1.408","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118225","30.056","0.006","37.668","0.008","16.799","0.003","90","","90","","90","","19019","7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C194.5 H179 Cl6 N34 O36 -","- C195 H179 Cl6 N34 O36 -","- C780 H716 Cl24 N136 O144 -","4","1","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","0.876","","","0.0801","0.0773","","","0.2091","0.212","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118226","9.72","0.0003","15.2412","0.0006","15.4722","0.0005","77.063","0.002","75.369","0.002","85.914","0.002","2161.24","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H35 Cl2 Cr N5 O2 -","- C16 H35 Cl2 Cr N5 O2 -","- C64 H140 Cl8 Cr4 N20 O8 -","4","2","","Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam","A Chromium(III)-Superoxo Complex in Oxygen Atom Transfer Reactions as a Chemical Model of Cysteine Dioxygenase","Journal of the American Chemical Society","2012","134","","11112","11115","10.1021/ja304357z","","","0.71073","MoKα","","0.0877","0.0518","","","0.1217","0.1409","","","","","","1.026","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118227","6.3826","0.0002","17.8095","0.0007","14.7575","0.0005","90","","99.669","0.004","90","","1653.67","0.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O2 S -","- C17 H25 N O2 S -","- C68 H100 N4 O8 S4 -","4","2","","Chu-Ting Yang; Zhen-Qi Zhang; Jun Liang; Jing-Hui Liu; Xiao-Yu Lu; Huan-Huan Chen; Lei Liu","Copper-Catalyzed Cross-Coupling of Nonactivated Secondary Alkyl Halides and Tosylates with Secondary Alkyl Grignard Reagents","Journal of the American Chemical Society","2012","134","","11124","11127","10.1021/ja304848n","","","0.71073","MoKα","","0.0545","0.0407","","","0.0831","0.0912","","","","","","1.053","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118228","5.9312","0.0002","8.3499","0.0005","25.2556","0.0013","90","","96.592","0.004","90","","1242.51","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O3 S -","- C28 H33 N O3 S -","- C56 H66 N2 O6 S2 -","2","1","","Chu-Ting Yang; Zhen-Qi Zhang; Jun Liang; Jing-Hui Liu; Xiao-Yu Lu; Huan-Huan Chen; Lei Liu","Copper-Catalyzed Cross-Coupling of Nonactivated Secondary Alkyl Halides and Tosylates with Secondary Alkyl Grignard Reagents","Journal of the American Chemical Society","2012","134","","11124","11127","10.1021/ja304848n","","","1.54184","CuKα","","0.0599","0.0496","","","0.1336","0.1468","","","","","","1.018","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118229","9.846","0.002","11.129","0.002","11.284","0.002","66.923","0.003","69.839","0.003","74.74","0.004","1056","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Co N5 O -","- C24 H30 Co N5 O -","- C48 H60 Co2 N10 O2 -","2","1","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0468","0.036","","","0.0758","0.0806","","","","","","1.035","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118230","29.641","0.005","22.626","0.004","10.566","0.002","90","","90","","90","","7086","2","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C78 H102 Co3 N13 O2 -","- C78 H102 Co3 N13 O2 -","- C312 H408 Co12 N52 O8 -","4","0.5","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0375","0.0303","","","0.0712","0.0808","","","","","","1.117","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4118231","7.9786","0.0007","12.0151","0.0011","14.8237","0.0013","90","","104.233","0.001","90","","1377.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Co2 N8 O4 -","- C26 H34 Co2 N8 O4 -","- C52 H68 Co4 N16 O8 -","2","0.5","","Julia Kozhukh; Stephen J. Lippard","Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes","Journal of the American Chemical Society","2012","134","","11120","11123","10.1021/ja305011g","","","0.71073","MoKα","","0.0275","0.0231","","","0.0595","0.0622","","","","","","1.043","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118232","25.396","0.006","7.751","0.002","27.382","0.007","90","","111.766","0.004","90","","5006","2","153","2","153","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H27 Br N2 O -","- C31 H27 Br N2 O -","- C248 H216 Br8 N16 O8 -","8","2","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.1465","0.0813","","","0.1653","0.1966","","","","","","0.995","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118233","6.3044","0.0012","9.775","0.002","16.431","0.003","90","","90","","90","","1012.6","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Br O2 -","- C9 H15 Br O2 -","- C36 H60 Br4 O8 -","4","1","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.0394","0.0354","","","0.083","0.0852","","","","","","1.068","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118234","7.2049","0.0012","5.3099","0.001","9.434","0.002","90","","92.18","0.004","90","","360.66","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O2 -","- C7 H7 Br O2 -","- C14 H14 Br2 O4 -","2","1","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.0187","0.0186","","","0.0496","0.0497","","","","","","1.067","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118235","11.9269","0.0006","18.0042","0.001","17.4685","0.0009","90","","107.486","0.001","90","","3577.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N O3 P Pd -","- C38 H54 N O3 P Pd -","- C152 H216 N4 O12 P4 Pd4 -","4","1","","Ekaterina V. Vinogradova; Brett P. Fors; Stephen L. Buchwald","Palladium-Catalyzed Cross-Coupling of Aryl Chlorides and Triflates with Sodium Cyanate: A Practical Synthesis of Unsymmetrical Ureas","Journal of the American Chemical Society","2012","134","","11132","11135","10.1021/ja305212v","","","0.71073","MoKα","","0.0293","0.0254","","","0.0652","0.0678","","","","","","1.075","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118236","8.30167","0.00016","8.30167","0.00016","3.84632","0.00009","90","","90","","90","","265.08","0.01","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba0.8 Fe O2 Sr0.2 -","- Ba0.8 Fe O1.99975 Sr0.2 -","- Ba3.2 Fe4 O7.999 Sr0.8 -","4","0.25","","Takafumi Yamamoto; Yoji Kobayashi; Naoaki Hayashi; Cédric Tassel; Takashi Saito; Shoji Yamanaka; Mikio Takano; Kenji Ohoyama; Yuichi Shimakawa; Kazuyoshi Yoshimura; Hiroshi Kageyama","(Sr1-xBax)FeO2 (0.4 <=x<= 1): A New Oxygen-Deficient Perovskite Structure","Journal of the American Chemical Society","2012","134","","11444","11454","10.1021/ja3007403","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118237","19.205","0.0004","23.3121","0.0005","20.2621","0.0004","90","","90.498","0.002","90","","9071.2","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C190 H198 F2 N40 O28 -","- C190 H198 F2 N40 O28 -","- C380 H396 F4 N80 O56 -","2","1","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54178","CuKα","","0.1108","0.0857","","","0.2305","0.2468","","","","","","1.021","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118238","26.5692","0.0008","18.3016","0.0006","20.3207","0.0005","90","","90","","90","","9881.1","0.5","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C170 H186 F2 N32 O24 -","- C170 H186 F2 N32 O24 -","- C340 H372 F4 N64 O48 -","2","0.5","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","CUKα","","0.0945","0.0658","","","0.1792","0.1951","","","","","","0.966","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118239","47.4778","0.0013","47.4778","0.0013","17.0113","0.0006","90","","90","","120","","33208.5","1.7","100","","100","","","","","","","","","6","P 65","P 65","170","","","","- C177 H188 Cl3 F3 N32 O25 -","- C177 H188 Cl3 F3 N32 O25 -","- C1062 H1128 Cl18 F18 N192 O150 -","6","1","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","CuKα","","0.0707","0.0479","","","0.1089","0.1143","","","","","","0.89","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118240","22.4604","0.0006","25.1013","0.0006","35.8922","0.001","90","","90","","90","","20235.5","0.9","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4054-s12","","- C88 H79 Cl3 N16 O13 -","- C88 H79 Cl3 N16 O13 -","- C704 H632 Cl24 N128 O104 -","8","2","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","MoKα","","0.0573","0.0482","","","0.1271","0.1313","","","","","","0.953","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4118241","3.9995","0.00004","3.9995","","7.80056","0.0002","90","","90","","90","","124.778","0.003","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Ca Ge H Mn0.1 Ni0.9 -","- Ca Ge H Mn0.1 Ni0.9 -","- Ca2 Ge2 H2 Mn0.2 Ni1.8 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118242","4.00062","0.00005","4.00062","","7.77622","0.00009","90","","90","","90","","124.458","0.002","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Ca Ge H Mn0.05 Ni0.95 -","- Ca Ge H Mn0.05 Ni0.95 -","- Ca2 Ge2 H2 Mn0.1 Ni1.9 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118243","3.999502","0.000034","3.999502","","7.75966","0.00017","90","","90","","90","","124.124","0.003","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ca D Ge Ni -","- Ca D Ge Ni -","- Ca2 D2 Ge2 Ni2 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118244","4.00379","0.00004","4.00379","","7.76501","0.0002","90","","90","","90","","124.476","0.003","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ca Ge H Ni -","- Ca Ge H Ni -","- Ca2 Ge2 H2 Ni2 -","2","0.125","","Xiaofeng Liu; Satoru Matsuishi; Satoru Fujitsu; Toru Ishigaki; Takashi Kamiyama; Hideo Hosono","Layered Hydride CaNiGeH with a ZrCuSiAs-type Structure: Crystal Structure, Chemical Bonding, and Magnetism Induced by Mn Doping","Journal of the American Chemical Society","2012","134","","11687","11694","10.1021/ja3026104","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118245","11.5987","0.0018","10.7814","0.0016","23.414","0.004","90","","90","","90","","2927.9","0.8","273","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H22 N O2 P -","- C12 H22 N O2 P -","- C96 H176 N8 O16 P8 -","8","1","","Nicole L. Dunn; Minji Ha; Alexander T. Radosevich","Main Group Redox Catalysis: Reversible PIII/PV Redox Cycling at a Phosphorus Platform","Journal of the American Chemical Society","2012","134","","11330","11333","10.1021/ja302963p","","","0.71073","MoKα","","0.0742","0.0588","","","0.1305","0.1382","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118246","10.4339","0.0001","10.3572","0.0002","18.9283","0.0003","90","","90.16","0.001","90","","2045.5","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 B Cl N O5 -","- C18 H27 B Cl N O5 -","- C72 H108 B4 Cl4 N4 O20 -","4","1","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","1.54178","CuKα","","0.0483","0.0422","","","0.1083","0.112","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118247","31.1629","0.0007","9.4125","0.0002","13.7729","0.0002","90","","102.403","0.001","90","","3945.59","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 B Br N O4 -","- C17 H25 B Br N O4 -","- C136 H200 B8 Br8 N8 O32 -","8","2","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","0.71073","MoKα","","0.1057","0.0603","","","0.1543","0.1865","","","","","","0.981","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118248","10.699","0.0011","18.0954","0.0019","20.924","0.002","90","","90","","90","","4050.9","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H25 B F3 N O4 -","- C18 H25 B F3 N O4 -","- C144 H200 B8 F24 N8 O32 -","8","1","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","0.71073","MoKα","","0.0659","0.0424","","","0.0942","0.1051","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118249","9.5289","0.0005","35.4913","0.0019","13.1869","0.0008","90","","91.204","0.003","90","","4458.7","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H31 B N2 O6 -","- C20 H31 B N2 O6 -","- C160 H248 B8 N16 O48 -","8","4","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","1.54178","CuKα","","0.0999","0.0782","","","0.2242","0.2409","","","","","","1.036","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118250","28.3485","0.0009","14.5614","0.0005","27.5959","0.0013","90","","120.534","0.001","90","","9811.7","0.7","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H140 O44 Ti17 -","- C60 H140 O44 Ti17 -","- C240 H560 O176 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0644","0.0439","","","0.1079","0.1315","","","","","","1.107","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118251","24.4999","0.0014","25.7959","0.0014","16.7621","0.0009","90","","90","","90","","10593.6","1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C68 H140 O48 Ti17 -","- C68 H140 O48 Ti17 -","- C272 H560 O192 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0597","0.0446","","","0.1097","0.1303","","","","","","1.149","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118252","15.698","0.0006","17.3278","0.0006","26.4054","0.001","90.276","0.001","98.604","0.001","113.181","0.001","6512.3","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H162 Cl2 N4 O48 Ti17 -","- C93 H162 Cl2 N4 O48 Ti17 -","- C186 H324 Cl4 N8 O96 Ti34 -","2","1","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1343","0.0751","","","0.177","0.2154","","","","","","1.03","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118253","29.948","0.002","13.7625","0.001","32.938","0.003","90","","104.365","0.001","90","","13151.3","1.8","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95 H178 N2 O53 Ti17 -","- C86 H154 N2 O50 Ti17 -","- C344 H616 N8 O200 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0883","0.0618","","","0.1591","0.1727","","","","","","1.056","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118254","39.0484","0.0015","39.0484","0.0015","13.8013","0.0006","90","","90","","90","","21043.9","1.5","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C84 H148 N4 O48 Ti17 -","- C84 H148 N4 O48 Ti17 -","- C336 H592 N16 O192 Ti68 -","4","0.25","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1083","0.0584","","","0.1493","0.168","","","","","","0.959","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118255","14.6316","0.001","31.498","0.002","15.8161","0.0014","90","","117.548","0.002","90","","6462.7","0.8","90","2","90","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C96 H166 N6 O48 Ti17 -","- C96 H166 N6 O48 Ti17 -","- C192 H332 N12 O96 Ti34 -","2","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0995","0.058","","","0.1319","0.1549","","","","","","1.058","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118256","27.857","0.003","27.857","0.003","13.2097","0.0012","90","","90","","90","","10250.9","1.8","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H128 N4 O48 Ti17 -","- C72 H128 N4 O48 Ti17 -","- C288 H512 N16 O192 Ti68 -","4","0.25","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0777","0.0475","","","0.1133","0.138","","","","","","1.124","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118257","38.622","0.003","14.0053","0.0008","30.3354","0.0019","90","","97.022","0.002","90","","16285.7","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C134 H194 N4 O56 Ti17 -","- C134 H194 N4 O56 Ti17 -","- C536 H776 N16 O224 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0657","0.0386","","","0.0913","0.1064","","","","","","1.056","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118258","29.808","0.001","14.0777","0.0005","27.9437","0.001","90","","103.594","0.001","90","","11397.5","0.7","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H140 O46 Ti17 -","- C72 H140 O46 Ti17 -","- C288 H560 O184 Ti68 -","4","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1205","0.063","","","0.1717","0.2385","","","","","","1.14","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118259","14.2444","0.0006","19.1492","0.0008","26.1335","0.001","75.139","0.001","84.942","0.001","77.348","0.001","6718.8","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H182 O60 Ti18 -","- C78 H158 O57 Ti18 -","- C156 H316 O114 Ti36 -","2","1","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.0943","0.0569","","","0.14","0.1544","","","","","","1.031","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118260","15.1566","0.0009","20.9363","0.0013","23.8427","0.0014","104.868","0.002","103.544","0.002","99.587","0.002","6899.3","0.7","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H342 N6 O92 Ti34 -","- C144 H270 N6 O92 Ti34 -","- C144 H270 N6 O92 Ti34 -","1","0.5","","Jesse D. Sokolow; Elzbieta Trzop; Yang Chen; Jiji Tang; Laura J. Allen; Robert H. Crabtree; Jason B. Benedict; Philip Coppens","Binding Modes of Carboxylate- and Acetylacetonate-Linked Chromophores to Homodisperse Polyoxotitanate Nanoclusters","Journal of the American Chemical Society","2012","134","","11695","11700","10.1021/ja303692r","","","0.71073","MoKα","","0.1216","0.0674","","","0.1603","0.1789","","","","","","0.95","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118261","14.4526","0.0007","26.2634","0.0015","13.1445","0.0008","90","","106.054","0.004","90","","4794.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 F12 N11 O4 P2 -","- C42 H49 F12 N11 O4 P2 -","- C168 H196 F48 N44 O16 P8 -","4","1","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","1.54178","CuKα","","0.0853","0.0634","","","0.1685","0.185","","","","","","1.04","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118262","7.1653","0.0009","11.657","0.0013","35.452","0.004","85.531","0.006","88.138","0.006","74.956","0.006","2850.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H68 N12 Ni O11 S4 -","- C52 H56 N12 Ni O8 S4 -","- C104 H112 N24 Ni2 O16 S8 -","2","1","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","0.71073","MoKα","","0.1425","0.0862","","","0.2494","0.2789","","","","","","1.167","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118263","18.8272","0.0004","20.3121","0.0004","56.4665","0.001","90","","95.294","0.001","90","","21501.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C186 H215 F72 N37 O16 P12 -","- C186 H215 F72 N37 O16 P12 -","- C744 H860 F288 N148 O64 P48 -","4","0.5","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","1.54178","CuKα","","0.1407","0.1332","","","0.4255","0.4325","","","","","","1.982","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118264","32.7648","0.0017","11.0431","0.0006","33.1123","0.0016","90","","117.905","0.003","90","","10587.8","1","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 F36 N12 O6 P6 -","- C78 H84 F30 N12 O6 P5 -","- C312 H336 F120 N48 O24 P20 -","4","1","","Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart","Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions","Journal of the American Chemical Society","2012","134","","11709","11720","10.1021/ja3037355","","","1.54184","CuKα","","0.1495","0.1045","","","0.2938","0.3165","","","","","","1.091","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118265","12.7633","0.0001","10.8231","0.0001","12.8029","0.0002","90","","118.39","0.002","90","","1555.87","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 Mn2 O4 -","- Cs3 Mn2 O4 -","- Cs24 Mn16 O32 -","8","2","","Jürgen Nuss; Maria A. Señaris-Rodriguez; Prasad L. V. K. Dasari; Moritz Stahl; Martin Jansen","Synthesis, Crystal Structure and Magnetic Properties of the New One-Dimensional Manganate Cs3Mn2O4","Journal of the American Chemical Society","2012","134","","11734","11739","10.1021/ja303889g","","x-ray","0.71073","MoKα","","0.0426","0.0407","","","0.1199","0.1209","","","","","","1.098","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118266","15.9265","0.0003","13.5014","0.0003","32.9014","0.001","90","","91.195","0.002","90","","7073.3","0.3","100","","100","","","","","","","","MAT ETH Zurich","5","P 1 21/c 1","-P 2ybc","14","","","","- C188 H128 Cl8 N12 O5 -","- C188 H128 Cl8 N12 O5 -","- C376 H256 Cl16 N24 O10 -","2","0.5","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.2202","0.1394","","","0.2974","0.3301","","","","","","1.594","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118267","8.8876","0.001","16.169","0.002","17.719","0.002","109.431","0.005","95.06","0.004","94.026","0.005","2378.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H45 Cl3 N4 -","- C63 H45 Cl3 N4 -","- C126 H90 Cl6 N8 -","2","1","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.1877","0.0798","","","0.1846","0.2371","","","","","","1.012","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118268","22.5095","0.0008","29.458","0.002","16.5367","0.0008","90","","131.595","0.002","90","","8200.4","0.8","100","","100","","","","","","","","LOC ETH Zurich","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H64 Cl12 N6 O2 -","- C96 H64 Cl12 N6 O2 -","- C384 H256 Cl48 N24 O8 -","4","0.5","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.2157","0.1082","","","0.2309","0.2884","","","","","","1.26","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118269","22.3446","0.0008","29.3622","0.0016","16.6429","0.0006","90","","131.806","0.002","90","","8139.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H68 Cl28 N12 O5 -","- C104 Cl8 N6 O2 -","- C416 Cl32 N24 O8 -","4","0.5","","Ming Li; A. Dieter Schlüter; Junji Sakamoto","Solid-State Photopolymerization of a Shape-Persistent Macrocycle with Two 1,8-Diazaanthracene Units in a Single Crystal","Journal of the American Chemical Society","2012","134","","11721","11725","10.1021/ja3038905","","","0.71073","MoKα","","0.1531","0.1203","","","0.391","0.4261","","","","","","1.756","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118270","13.5218","0.0008","18.4068","0.0011","20.5993","0.0012","113.1","0.003","96.916","0.003","104.268","0.003","4432.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H92 Mo14 N4 O51 S14 -","- C24 H24 Mo14 N4 O51 S14 -","- C48 H48 Mo28 N8 O102 S28 -","2","1","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0579","0.0371","","","0.0872","0.0989","","","","","","1.026","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118271","21.6956","0.0011","9.251","0.0005","22.0442","0.0012","90","","107.579","0.002","90","","4217.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H40 K8 Mo16 O60 S12 -","- C8 K8 Mo16 O60 S12 -","- C16 K16 Mo32 O120 S24 -","2","0.5","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0755","0.0572","","","0.1356","0.1458","","","","","","1.102","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118272","16.647","0.0005","16.647","0.0005","41.4457","0.0015","90","","90","","120","","9946.8","0.6","150","2","150","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C12 H51 K Mo10 N2 O36 S8 -","- C12 K Mo10 N2 O36 S8 -","- C72 K6 Mo60 N12 O216 S48 -","6","0.5","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0709","0.0504","","","0.13","0.1464","","","","","","1.082","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118273","14.3076","0.0006","11.5924","0.0004","20.845","0.001","90","","133.274","0.003","90","","2517.2","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H16 K4 Mo10 O39 S8 -","- C4 K4 Mo10 O39 S8 -","- C8 K8 Mo20 O78 S16 -","2","1","","HongYing Zang; Haralampos N. Miras; Jun Yan; De-Liang Long; Leroy Cronin","Assembly and Autochirogenesis of a Chiral Inorganic Polythioanion Möbius Strip via Symmetry Breaking","Journal of the American Chemical Society","2012","134","","11376","11379","10.1021/ja304371j","","","0.71073","MoKα","","0.0367","0.0349","","","0.0773","0.0794","","","","","","1.153","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118274","9.0957","0.0004","10.3988","0.0004","11.9486","0.0005","89.195","0.003","67.717","0.003","77.097","0.003","1016.22","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H74 Ir2 Si4 -","- C32 H74 Ir2 Si4 -","- C32 H74 Ir2 Si4 -","1","0.5","","Chen Cheng; Maurice Brookhart","Iridium-Catalyzed Reduction of Secondary Amides to Secondary Amines and Imines by Diethylsilane","Journal of the American Chemical Society","2012","134","","11304","11307","10.1021/ja304547s","","","1.54184","CuKα","","0.0552","0.0498","","","0.1286","0.1318","","","","","","1.062","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118275","8.4863","0.0009","10.2943","0.0008","15.4841","0.0014","90","","90","","90","","1352.7","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Br N O2 -","- C12 H20 Br N O2 -","- C48 H80 Br4 N4 O8 -","4","1","","Bryony S. Dyson; Jonathan W. Burton; Te-ik Sohn; Byungsook Kim; Hoon Bae; Deukjoon Kim","Total Synthesis and Structure Confirmation of Elatenyne: Success of Computational Methods for NMR Prediction with Highly Flexible Diastereomers","Journal of the American Chemical Society","2012","134","","11781","11790","10.1021/ja304554e","","","0.71075","MoKα","","","0.0323","","","","0.0881","","","","","","1.089","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118276","8.5368","0.0008","9.0616","0.0009","13.5135","0.0014","98.953","0.006","107.827","0.005","102.345","0.005","944.29","0.17","173","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","2","","Youn, So Won; Kim, Byung Seok; Jagdale, Arun R.","Pd-Catalyzed Sequential C‒C Bond Formation and Cleavage: Evidence for an Unexpected Generation of Arylpalladium(II) Species","Journal of the American Chemical Society","2012","134","28","11308","11311","10.1021/ja304616q","","","0.71073","MoKα","","0.0636","0.0495","","","0.1512","0.1616","","","","","","1.067","","","","has coordinates","210878","2020-10-21","18:00:00",""
"4118277","12.1461","0.0018","13.876","0.002","17.131","0.003","67.041","0.008","72.676","0.009","67.039","0.008","2411.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","iron(II) TBC triflate","","","- C46 H57 F6 Fe N7 O6 S2 -","- C46 H57 F6 Fe N7 O6 S2 -","- C92 H114 F12 Fe2 N14 O12 S4 -","2","1","","Samuel A. Wilson; Junying Chen; Seungwoo Hong; Yong-Min Lee; Martin Clémancey; Ricardo Garcia-Serres; Takashi Nomura; Takashi Ogura; Jean-Marc Latour; Britt Hedman; Keith O. Hodgson; Wonwoo Nam; Edward I. Solomon","[FeIV=O(TBC)(CH3CN)]2+: Comparative Reactivity of Iron(IV)-Oxo Species with Constrained Equatorial Cyclam Ligation","Journal of the American Chemical Society","2012","134","","11791","11806","10.1021/ja3046298","","","0.71073","MoKα","","0.2378","0.0803","","","0.205","0.3209","","","","","","1.15","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118278","7.3854","0.0008","5.7613","0.0006","26.815","0.003","90","","92.526","0.005","90","","1139.9","0.2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Br N2 O6 S -","- C24 H21 Br N2 O6 S -","- C48 H42 Br2 N4 O12 S2 -","2","1","","Nathan T. Jui; Jeffrey A. O. Garber; Fernanda Gadini Finelli; David W. C. MacMillan","Enantioselective Organo-SOMO Cycloadditions: A Catalytic Approach to Complex Pyrrolidines from Olefins and Aldehydes","Journal of the American Chemical Society","2012","134","","11400","11403","10.1021/ja305076b","","","0.71073","MoKα","","0.0239","0.023","","","0.0575","0.0578","","","","","","1.043","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118279","10.1987","0.0005","6.0777","0.0003","16.6677","0.0008","90","","99.679","0.003","90","","1018.43","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C48 H42 Cl2 N4 O2 -","2","1","","Barry M. Trost; Tom M. Lam","Development of Diamidophosphite Ligands and Their Application to the Palladium-Catalyzed Vinyl-Substituted Trimethylenemethane Asymmetric [3 + 2] Cycloaddition","Journal of the American Chemical Society","2012","134","","11319","11321","10.1021/ja305717r","","","1.54178","CuKα","","0.0365","0.034","","","0.085","0.0869","","","","","","1.041","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118280","7.0555","0.0002","17.1622","0.0006","13.3154","0.0004","90","","101.11","0.002","90","","1582.12","0.09","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 F4 N2 O2 -","- C15 H18 F4 N2 O2 -","- C60 H72 F16 N8 O8 -","4","2","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0644","0.0492","","","0.1094","0.1179","","","","","","1.066","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118281","5.5639","0.0002","16.0755","0.0005","26.6196","0.0009","90","","90","","90","","2380.92","0.14","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F4 N2 O4 -","- C20 H24 F4 N2 O4 -","- C80 H96 F16 N8 O16 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0905","0.0833","","","0.2438","0.2538","","","","","","1.118","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118282","7.415","0.006","18.273","0.016","22.36","0.019","90","","90","","90","","3030","4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C15 H16 F4 N2 O3 -","- C15 H16 F4 N2 O3 -","- C120 H128 F32 N16 O24 -","8","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.6889","Synchrotron","","0.0846","0.0682","","0.1705","0.1575","0.1705","","","","","","0.9169","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118283","10.1978","0.0004","24.1992","0.0013","17.2357","0.0005","90","","107.207","0.001","90","","4063","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F4 N2 O4 -","- C19 H24 F4 N2 O4 -","- C152 H192 F32 N16 O32 -","8","4","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.6889","Synchrotron","","0.0719","0.055","","0.1485","0.1245","0.1485","","","","","","0.9771","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118284","5.5348","0.0001","15.9379","0.0003","26.45","0.0006","90","","90","","90","","2333.24","0.08","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F5 N2 O5 -","- C21 H27 F5 N2 O5 -","- C84 H108 F20 N8 O20 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0827","0.073","","","0.2019","0.2151","","","","","","1.025","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118285","17.1127","0.0006","9.514","0.0004","10.5373","0.0004","90","","101.631","0.002","90","","1680.35","0.11","240","2","240","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 F5 N2 O2.5 -","- C15 H18 F5 N2 O2.5 -","- C60 H72 F20 N8 O10 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0484","0.0429","","","0.11","0.1162","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118286","15.8014","0.0006","10.5452","0.0003","9.517","0.0003","90","","102.319","0.004","90","","1549.29","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F2 N O -","- C8 H7 F2 N O -","- C64 H56 F16 N8 O8 -","8","2","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","1.5418","CuKα","","0.0474","0.0403","","0.1057","0.0997","0.1057","","","","","","0.9835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118287","14.856","0.0008","14.856","0.0008","14.856","0.0008","90","","90","","90","","3278.7","0.3","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","lanthanum iron borocarbide","","","- C34 Al0.34 B24.8 Fe13.86 La33 -","- C34 Al0.344 B24.8 Fe13.856 La33 -","- C68 Al0.688 B49.6 Fe27.712 La66 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0287","0.0184","","","0.0326","0.0349","","","","","","1.154","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118288","14.6173","0.0011","14.6173","0.0011","14.6173","0.0011","90","","90","","90","","3123.2","0.4","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","Cerium iron borocarbide","","","- C34 Al B25 Ce33 Fe13 -","- C34 Al1.092 B24.79 Ce33 Fe13.118 -","- C68 Al2.184 B49.58 Ce66 Fe26.236 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0186","0.0155","","","0.035","0.0354","","","","","","1.24","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118289","14.6148","0.0011","14.6148","0.0011","14.6148","0.0011","90","","90","","90","","3121.6","0.4","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","cerium manganese borocarbide","","","- C34 Al0.08 B24.92 Ce33 Mn14 -","- C34 Al0.08 B24.92 Ce33 Mn14 -","- C68 Al0.16 B49.84 Ce66 Mn28 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0177","0.0155","","","0.0345","0.0349","","","","","","1.247","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118290","14.246","0.008","14.246","0.008","14.246","0.008","90","","90","","90","","2891","3","150","2","150","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","cerium iron borocarbide","","","- C34 B18 Ce33 Fe13 -","- C34 B18 Ce33 Fe13 -","- C68 B36 Ce66 Fe26 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0143","0.0142","","","0.0285","0.0285","","","","","","1.36","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118291","14.3881","0.0009","14.3881","0.0009","14.3881","0.0009","90","","90","","90","","2978.6","0.3","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","praseodymium iron borocarbide","","","- C34 Al0.04 B18 Fe12.96 Pr33 -","- C34 Al0.04 B18 Fe12.96 Pr33 -","- C68 Al0.08 B36 Fe25.92 Pr66 -","2","0.0208333","","Patricia C. Tucker; Jason Nyffeler; Banghao Chen; Andrew Ozarowski; Ryan Stillwell; Susan E. Latturner","A Tale of Two Metals: New Cerium Iron Borocarbide Intermetallics Grown from Rare-Earth/Transition Metal Eutectic Fluxes","Journal of the American Chemical Society","2012","134","","12138","12148","10.1021/ja303370j","","","0.71073","MoKα","","0.0137","0.0127","","","0.0271","0.0273","","","","","","1.233","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118292","7.6145","0.0006","7.9079","0.0007","9.6513","0.0008","99.938","0.002","98.057","0.001","106.992","0.002","536.12","0.08","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","ubsc11","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","2","","Yan Miller; Lei Miao; Azade S. Hosseini; Sherry R. Chemler","Copper-Catalyzed Intramolecular Alkene Carboetherification: Synthesis of Fused-Ring and Bridged-Ring Tetrahydrofurans","Journal of the American Chemical Society","2012","134","","12149","12156","10.1021/ja3034075","","","0.71073","MoKα","","0.1071","0.0539","","","0.1298","0.1569","","","","","","0.972","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118293","19.425","0.003","10.67","0.0015","25.538","0.004","90","","110.452","0.003","90","","4959.5","1.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ubsc12","","","- C31 H26 Cl2 O -","- C31 H26 Cl2 O -","- C248 H208 Cl16 O8 -","8","2","","Yan Miller; Lei Miao; Azade S. Hosseini; Sherry R. Chemler","Copper-Catalyzed Intramolecular Alkene Carboetherification: Synthesis of Fused-Ring and Bridged-Ring Tetrahydrofurans","Journal of the American Chemical Society","2012","134","","12149","12156","10.1021/ja3034075","","","0.71073","MoKα","","0.0941","0.0491","","","0.1002","0.1187","","","","","","1.013","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118294","6.979","0.003","9.779","0.005","21.672","0.005","90","","90","","90","","1479.1","1","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H19 Cl2 N5 O3.003 Ru S1.001 -","- C20 H76 Cl8 N20 O12.012 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0941","0.0538","","","","0.132","","","","","","0.836","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118295","9.798","0.008","7.009","0.006","21.613","0.018","90","","90","","90","","1484","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1269","0.0678","","","","0.1557","","","","","","0.742","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118296","9.803","0.009","7.029","0.006","21.595","0.019","90","","90","","90","","1488","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S -","- C20 H68 Cl8 N20 O11.996 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1375","0.0739","","","","0.188","","","","","","0.786","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118297","7.032","0.007","9.795","0.009","21.58","0.02","90","","90","","90","","1486","2","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1401","0.0816","","","","0.2344","","","","","","0.875","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118298","9.816","0.009","7.052","0.007","21.62","0.019","90","","90","","90","","1497","2","120","2","120","2","","","","","","","","7","P c m n","-P 2n 2ac","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S -","- C20 H68 Cl8 N20 O11.996 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1566","0.135","","","","0.4371","","","","","","1.417","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118299","7.073","0.015","9.7","0.02","21.51","0.05","90","","90","","90","","1476","6","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.999 Ru S0.999 -","- C20 H68 Cl8 N20 O11.996 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1892","0.0983","","","","0.3094","","","","","","0.778","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118300","7.077","0.013","9.61","0.02","21.44","0.04","90","","90","","90","","1458","5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.998 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.2414","0.207","","","","0.5851","","","","","","1.764","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118301","6.938","0.0009","9.6437","0.0013","21.505","0.003","90","","90","","90","","1438.9","0.3","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H19 Cl2 N5 O3 Ru S -","- C20 H76 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0288","0.0278","","","","0.0615","","","","","","1.167","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118302","6.8533","0.0018","9.761","0.003","23.472","0.006","90","","90","","90","","1570.2","0.8","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H18 Cl3 N5 O3 Ru S -","- C20 H72 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0513","0.0481","","","","0.1005","","","","","","1.134","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118303","7.13","0.002","10.625","0.003","9.959","0.003","90","","91.675","0.003","90","","754.1","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H18 Cl3 N5 O3 Ru S -","- C10 H36 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.047","0.0461","","","","0.118","","","","","","1.061","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118304","6.885","0.002","9.756","0.003","23.372","0.008","90","","90","","90","","1569.9","0.9","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C20 H64 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0567","0.0505","","","","0.1139","","","","","","1.159","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118305","7.159","0.004","10.674","0.006","9.962","0.006","90","","91.604","0.009","90","","760.9","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0509","0.0488","","","","0.1068","","","","","","1.078","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118306","6.977","0.004","9.745","0.005","21.588","0.011","90","","90","","90","","1467.8","1.4","100","2","100","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0841","0.0811","","","","0.1543","","","","","","1.148","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118307","6.992","0.004","9.735","0.005","21.55","0.011","90","","90","","90","","1466.8","1.4","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.965 Ru S0.982 -","- C20 H68 Cl8 N20 O11.86 Ru4 S3.928 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0821","0.067","","","","0.1392","","","","","","1.11","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118308","7","0.003","9.741","0.004","21.53","0.004","90","","90","","90","","1468.1","0.9","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0815","0.0657","","","","0.1387","","","","","","1.073","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118309","7.003","0.003","9.734","0.004","21.493","0.008","90","","90","","90","","1465.1","1","120","2","120","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0819","0.0681","","","","0.1535","","","","","","1.076","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118310","7.024","0.003","9.74","0.004","21.473","0.01","90","","90","","90","","1469","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.997 Ru S0.998 -","- C20 H68 Cl8 N20 O11.988 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0819","0.0616","","","","0.1633","","","","","","1.112","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118311","7.027","0.003","9.736","0.004","21.428","0.009","90","","90","","90","","1466","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0839","0.0622","","","","0.1623","","","","","","1.118","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118312","7.034","0.003","9.73","0.004","21.396","0.009","90","","90","","90","","1464.4","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.085","0.0643","","","","0.1742","","","","","","1.086","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118313","7.037","0.003","9.724","0.004","21.354","0.01","90","","90","","90","","1461.2","1.1","130","2","130","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0831","0.0612","","","","0.1721","","","","","","1.121","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118314","7.059","0.004","9.727","0.005","21.3","0.011","90","","90","","90","","1462.5","1.3","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.997 Ru S0.998 -","- C20 H68 Cl8 N20 O11.988 Ru4 S3.992 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0854","0.061","","","","0.1821","","","","","","1.064","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118315","7.072","0.004","9.727","0.005","21.256","0.012","90","","90","","90","","1462.2","1.4","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0846","0.0573","","","","0.1563","","","","","","0.986","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118316","7.102","0.005","9.761","0.006","21.306","0.014","90","","90","","90","","1477","1.7","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O2.998 Ru S0.999 -","- C20 H68 Cl8 N20 O11.992 Ru4 S3.996 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0855","0.0566","","","","0.1542","","","","","","0.966","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118317","7.088","0.005","9.743","0.006","21.231","0.014","90","","90","","90","","1466.2","1.7","140","2","140","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0969","0.0623","","","","0.1743","","","","","","0.873","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118318","7.047","0.011","9.768","0.016","21.49","0.03","90","","90","","90","","1479","4","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.1512","0.1272","","","","0.4126","","","","","","1.512","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118319","7.06","0.004","9.707","0.006","21.359","0.013","90","","90","","90","","1463.8","1.5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.07","0.0426","","","","0.0979","","","","","","0.766","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118320","7.054","0.005","9.711","0.006","21.428","0.014","90","","90","","90","","1467.8","1.7","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3.001 Ru S1.001 -","- C20 H68 Cl8 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0837","0.0526","","","","0.1487","","","","","","0.914","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118321","7.032","0.004","9.695","0.006","21.42","0.013","90","","90","","90","","1460.3","1.5","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0702","0.0508","","","","0.124","","","","","","0.942","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118322","7.034","0.005","9.7","0.006","21.467","0.014","90","","90","","90","","1464.7","1.7","293","2","293","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H19 Cl2 N5 O3 Ru S -","- C5 H17 Cl2 N5 O3 Ru S -","- C20 H68 Cl8 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0751","0.0532","","","","0.1356","","","","","","0.919","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118323","6.909","0.005","9.769","0.006","23.346","0.016","90","","90","","90","","1575.7","1.8","150","2","150","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C20 H64 Cl12 N20 O12 Ru4 S4 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0692","0.0513","","","","0.1165","","","","","","0.968","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118324","6.952","0.002","9.772","0.003","23.295","0.007","90","","90","","90","","1582.5","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0662","0.0525","","","","0.1267","","","","","","1.083","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118325","6.915","0.002","9.773","0.003","23.306","0.007","90","","90","","90","","1575","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0667","0.0505","","","","0.1215","","","","","","1.041","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118326","6.9441","0.0019","9.774","0.003","23.314","0.006","90","","90","","90","","1582.4","0.8","200","2","200","2","","","","","","","","7","P m c n","-P 2n 2a","62","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3.001 Ru S1.001 -","- C20 H64 Cl12 N20 O12.004 Ru4 S4.004 -","4","0.5","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.066","0.0508","","","","0.1256","","","","","","1.068","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118327","7.1389","0.0017","10.738","0.003","9.936","0.002","90","","90.921","0.003","90","","761.6","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0472","0.0374","","","","0.0744","","","","","","0.895","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118328","7.146","0.002","10.78","0.004","9.935","0.003","90","","90.978","0.004","90","","765.2","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0473","0.0345","","","","0.0728","","","","","","0.827","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118329","7.147","0.002","10.756","0.003","9.944","0.003","90","","91.089","0.004","90","","764.3","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0457","0.0364","","","","0.0752","","","","","","0.895","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118330","7.15","0.002","10.74","0.003","9.951","0.003","90","","91.177","0.004","90","","764","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0444","0.039","","","","0.0837","","","","","","1.01","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118331","7.151","0.002","10.73","0.003","9.954","0.003","90","","91.143","0.004","90","","763.6","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0465","0.0351","","","","0.1159","","","","","","0.869","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118332","7.152","0.002","10.712","0.003","9.959","0.003","90","","91.2","0.004","90","","762.8","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0422","0.0382","","","","0.0845","","","","","","1.044","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118333","7.155","0.002","10.711","0.003","9.96","0.003","90","","91.25","0.004","90","","763.1","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0429","0.0359","","","","0.0733","","","","","","0.814","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118334","7.154","0.002","10.698","0.003","9.966","0.003","90","","90","","90","","762.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0421","0.0363","","","","0.0747","","","","","","0.932","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118335","7.157","0.002","10.694","0.003","9.972","0.003","90","","91.327","0.005","90","","763","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C5 H18 Cl3 N5 O3 Ru S -","- C5 H16 Cl3 N5 O3 Ru S -","- C10 H32 Cl6 N10 O6 Ru2 S2 -","2","1","","Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell","Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction","Journal of the American Chemical Society","2012","134","","11860","11863","10.1021/ja303943q","","","0.71073","MoKα","","0.0422","0.0384","","","","0.0794","","","","","","0.983","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118336","14.612","0.005","11.033","0.005","33.094","0.005","90","0.005","99.129","0.005","90","0.005","5268","3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H14 La2 O2 S4 -","- C94 H14 La2 O2 S4 -","- C376 H56 La8 O8 S16 -","4","1","","Lai Feng; Marc Rudolf; Silke Wolfrum; Anna Troeger; Zdenek Slanina; Takeshi Akasaka; Shigeru Nagase; Nazario Martín; Tayebeh Ameri; Christoph J. Brabec; Dirk M. Guldi","A Paradigmatic Change: Linking Fullerenes to Electron Acceptors","Journal of the American Chemical Society","2012","134","","12190","12197","10.1021/ja3039695","","","0.71069","MoKα","","0.0936","0.0791","","","0.2188","0.2335","","","","","","1.08","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118337","8.076","0.0003","27.4543","0.001","9.4471","0.0003","90","","90.665","0.004","90","","2094.48","0.13","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N2 O2 -","- C23 H32 N2 O2 -","- C92 H128 N8 O8 -","4","1","","Shuaijun Yang; Jingsong You; Jingbo Lan; Ge Gao","Facile Access to Extremely Efficient Energy-Transfer Pairs via an Unexpected Reaction of Squaraines with Ketones","Journal of the American Chemical Society","2012","134","","11868","11871","10.1021/ja304082h","","","0.7107","MoKα","","0.0891","0.0667","","","0.1762","0.1991","","","","","","1.037","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118338","8.1234","0.0004","11.0246","0.0006","11.9645","0.0007","113.415","0.005","100.663","0.004","98.461","0.004","936.92","0.1","145","","145","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","1","","Shuaijun Yang; Jingsong You; Jingbo Lan; Ge Gao","Facile Access to Extremely Efficient Energy-Transfer Pairs via an Unexpected Reaction of Squaraines with Ketones","Journal of the American Chemical Society","2012","134","","11868","11871","10.1021/ja304082h","","","0.7107","MoKα","","0.0676","0.0455","","","0.1055","0.1186","","","","","","1.035","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118339","8.111","0.0003","27.4246","0.0009","9.4351","0.0004","90","","90.6","0.004","90","","2098.64","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N2 O2 -","- C23 H32 N2 O2 -","- C92 H128 N8 O8 -","4","1","","Shuaijun Yang; Jingsong You; Jingbo Lan; Ge Gao","Facile Access to Extremely Efficient Energy-Transfer Pairs via an Unexpected Reaction of Squaraines with Ketones","Journal of the American Chemical Society","2012","134","","11868","11871","10.1021/ja304082h","","","0.7107","MoKα","","0.1224","0.0782","","","0.209","0.2416","","","","","","1.05","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118340","26.6846","0.0004","8.3813","0.0001","6.9691","0.0001","90","","90.241","0.001","90","","1558.64","0.04","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Maitane Fernández; Uxue Uria; Jose L. Vicario; Efraím Reyes; Luisa Carrillo","Enantioselective Conjugate Addition of Donor-Acceptor Hydrazones to α,β-Unsaturated Aldehydes through Formal Diaza-Ene Reaction: Access to 1,4-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","11872","11875","10.1021/ja3041042","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.1019","0.1034","","","","","","1.057","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118341","12.419","0.002","13.116","0.002","15.871","0.003","66.443","0.004","88.215","0.004","71.224","0.005","2229.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H72 F14 N6 O10 S2 Si2 -","- C26 H68 F8 N6 O8 S2 Si -","- C52 H136 F16 N12 O16 S4 Si2 -","2","1","","Md. Alamgir Hossain; Musabbir A. Saeed; Avijit Pramanik; Bryan M. Wong; Syed A. Haque; Douglas R. Powell","A Self-Assembled Fluoride-Water Cyclic Cluster of [F(H2O)]44- in a Molecular Box","Journal of the American Chemical Society","2012","134","","11892","11895","10.1021/ja3043855","","","0.71073","MoKα","","0.0926","0.0669","","","0.17","0.1837","","","","","","1.002","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4118342","16.039","0.002","16.038","0.002","9.9156","0.0013","90","","90","","90","","2550.6","0.6","193","2","193","2","","","","","","","chemical synthesis","5","P m m n :2","-P 2ab 2a","59","DCP1","(Acetato)(10-benzo[h]quinolinato)palladium(II) dimer","","- C30 H22 N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","0.5","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0297","0.0282","","","0.0701","0.0713","","","","","","1.12","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118343","17.1241","0.0006","20.2806","0.0007","23.2979","0.0009","89.559","0.002","89.23","0.002","88.773","0.002","8088.3","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C184 H140 Cl8 N12 O24 Pd12 -","- C184 H140 Cl8 N12 O24 Pd12 -","- C368 H280 Cl16 N24 O48 Pd24 -","2","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0728","0.0475","","","0.0956","0.1069","","","","","","1.039","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118344","10.0855","0.0011","14.4631","0.0015","14.9794","0.0016","81.313","0.002","73.034","0.001","70.432","0.002","1965.8","0.4","100","2","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H34 Cl2 F6 N2 O10 Pd2 -","- C37 H34 Cl2 F6 N2 O10 Pd2 -","- C74 H68 Cl4 F12 N4 O20 Pd4 -","2","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0586","0.0449","","","0.1196","0.1264","","","","","","1.08","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118345","9.4347","0.0008","12.5162","0.0011","16.0412","0.0014","75.497","0.001","78.327","0.001","71.822","0.001","1726.4","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C37 H24 Cl2 N6 O4 Pd2 -","- C37 H24 Cl2 N6 O4 Pd2 -","- C74 H48 Cl4 N12 O8 Pd4 -","2","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0513","0.0368","","","0.07","0.0745","","","","","","1.064","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118346","8.2349","0.0007","13.3008","0.0012","18.9296","0.0017","90","","102.237","0.001","90","","2026.3","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F6 N2 Pd -","- C20 H24 F6 N2 Pd -","- C80 H96 F24 N8 Pd4 -","4","1","","David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter","Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage","Journal of the American Chemical Society","2012","134","","12002","12009","10.1021/ja304401u","","","0.71073","MoKα","","0.0178","0.0162","","","0.0393","0.0401","","","","","","1.066","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118347","5.8806","0.0003","12.6232","0.0006","20.6562","0.0009","90","","90","","90","","1533.35","0.13","173.2","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54184","CuKα","","0.0255","0.0254","","","0.0683","0.0684","","","","","","1.108","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118348","17.9833","0.0017","5.7116","0.0006","40.992","0.004","90","","90","","90","","4210.4","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H21 F3 O2 -","- C26 H21 F3 O2 -","- C208 H168 F24 O16 -","8","2","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54178","CuKα","","0.1403","0.1049","","","0.293","0.3283","","","","","","1.062","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118349","10.7312","0.0006","6.0144","0.0004","11.0902","0.0007","90","","103.15","0.002","90","","697.01","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54178","CuKα","","0.0301","0.0299","","","0.0819","0.0821","","","","","","1.046","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118350","9.347","0.002","38.247","0.008","11.0355","0.0019","90","","115.056","0.006","90","","3573.9","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tep2ptcl2","","","- C37 H30 Cl4 P2 Pt Te -","- C37 H30 Cl4 P2 Pt Te -","- C148 H120 Cl16 P8 Pt4 Te4 -","4","1","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0302","0.0271","","","0.0549","0.0562","","","","","","1.002","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118351","10.9177","0.0015","10.1787","0.0014","34.619","0.005","90","","94.273","0.002","90","","3836.4","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tep2ptcl4","","","- C40 H36 Cl4 O P2 Pt Te -","- C40 H36 Cl4 O P2 Pt Te -","- C160 H144 Cl16 O4 P8 Pt4 Te4 -","4","1","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0544","0.0505","","","0.1378","0.1416","","","","","","1.004","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118352","16.821","0.004","15.309","0.004","16.315","0.004","90","","90","","90","","4201.3","1.8","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","TeP2PtI","","","- C37 H30 Cl2 I4 P2 Pt Te -","- C37 H30 Cl2 I4 P2 Pt Te -","- C148 H120 Cl8 I16 P8 Pt4 Te4 -","4","0.5","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0623","0.0508","","","0.1088","0.115","","","","","","1.03","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118353","11.515","0.004","11.663","0.004","14.145","0.004","79.654","0.003","69.66","0.003","71.754","0.003","1686.3","1","110","2","110","2","","","","","","","","8","P -1","-P 1","2","tep2ptf","","","- C38 H34 Cl F O2 P2 Pt Te -","- C38 H34 Cl F O2 P2 Pt Te -","- C76 H68 Cl2 F2 O4 P4 Pt2 Te2 -","2","1","","Tzu-Pin Lin; François P. Gabbaï","Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex","Journal of the American Chemical Society","2012","134","","12230","12238","10.1021/ja3046074","","","0.71073","MoKα","","0.0242","0.0222","","","0.0533","0.0545","","","","","","1.008","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118354","8.3294","0.0004","14.3335","0.0007","15.5664","0.0008","102.861","0.001","98.72","0.001","101.181","0.001","1740.2","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 K N4 O19 S -","- C28 H33 K N4 O19 S -","- C56 H66 K2 N8 O38 S2 -","2","1","","Liana Wong; Chunhua Hu; Ruthanne Paradise; Zina Zhu; Alexander Shtukenberg; Bart Kahr","Relationship between Tribology and Optics in Thin Films of Mechanically Oriented Nanocrystals","Journal of the American Chemical Society","2012","134","","12245","12251","10.1021/ja304799a","","","0.71073","MoKα","","0.0859","0.0591","","","0.1554","0.1748","","","","","","1.028","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118355","22.808","0.007","27.255","0.008","4.9139","0.0014","90","","90","","90","","3054.6","1.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C160 H144 N16 O16 -","8","2","","Liana Wong; Chunhua Hu; Ruthanne Paradise; Zina Zhu; Alexander Shtukenberg; Bart Kahr","Relationship between Tribology and Optics in Thin Films of Mechanically Oriented Nanocrystals","Journal of the American Chemical Society","2012","134","","12245","12251","10.1021/ja304799a","","","0.71073","MoKα","","0.0924","0.0558","","","0.117","0.1325","","","","","","1.051","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118356","17.2639","0.0003","16.1292","0.0003","20.9014","0.0004","90","","93.522","0.009","90","","5809.06","0.19","150","1","150","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C67 H62 B Br Fe N2 O P2 -","- C67 H62 B Br Fe N2 O P2 -","- C268 H248 B4 Br4 Fe4 N8 O4 P8 -","4","2","","Alexandre A. Mikhailine; Mazharul I. Maishan; Alan J. Lough; Robert H. Morris","The Mechanism of Efficient Asymmetric Transfer Hydrogenation of Acetophenone Using an Iron(II) Complex Containing an (S,S)-Ph2PCH2CH=NCHPhCHPhN=CHCH2PPh2 Ligand: Partial Ligand Reduction Is the Key","Journal of the American Chemical Society","2012","134","","12266","12280","10.1021/ja304814s","","","0.71073","MoKα","","0.1272","0.0709","","","0.1626","0.1802","","","","","","1.053","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118357","5.9404","0.0007","9.5623","0.0011","23.993","0.003","91.29","0.004","94.616","0.007","99.627","0.007","1338.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 O P2 -","- C33 H30 O P2 -","- C66 H60 O2 P4 -","2","1","","Masahiro Kamitani; Masumi Itazaki; Chihiro Tamiya; Hiroshi Nakazawa","Regioselective Double Hydrophosphination of Terminal Arylacetylenes Catalyzed by an Iron Complex","Journal of the American Chemical Society","2012","134","","11932","11935","10.1021/ja304818c","","","0.7107","MoKα","","0.0675","0.0563","","","0.0966","0.1006","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118358","10.2581","0.0006","11.9822","0.0007","22.0451","0.0014","90","","90","","90","","2709.7","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 P2 -","- C33 H30 P2 -","- C132 H120 P8 -","4","1","","Masahiro Kamitani; Masumi Itazaki; Chihiro Tamiya; Hiroshi Nakazawa","Regioselective Double Hydrophosphination of Terminal Arylacetylenes Catalyzed by an Iron Complex","Journal of the American Chemical Society","2012","134","","11932","11935","10.1021/ja304818c","","","0.7107","MoKα","","0.053","0.0463","","","0.0854","0.0878","","","","","","1.118","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118359","8.6025","0.0003","11.4786","0.0004","16.0146","0.0011","100.217","0.007","93.384","0.007","108.598","0.008","1463.64","0.15","195","2","195","2","","","","","","","","4","P 1","P 1","1","","(1R)-2,3,5-Tri-O-benzyl-4-O-formyl-D-arabinose 1-(dimethyl phosphonate)","","- C29 H35 O9 P -","- C29 H35 O9 P -","- C58 H70 O18 P2 -","2","2","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0379","0.0328","","","0.0764","0.094","","","","","","1.142","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118360","5.2851","0.0001","11.5055","0.0003","42.054","0.003","90","","90","","90","","2557.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((2S,3S,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido-1,2- oxaphosphinan-6-yl)methyl acetate","","- C24 H29 O9 P -","- C24 H29 O9 P -","- C96 H116 O36 P4 -","4","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0836","0.0518","","","0.1029","0.1289","","","","","","1.152","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118361","10.583","0.007","10.583","0.007","39.571","0.006","90","","90","","120","","3838","4","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","((2R,3R,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido- 1,2-oxaphosphinan-6yl)methyl acetate","","- C24 H29 O9 P -","- C24 H29 O9 P -","- C144 H174 O54 P6 -","6","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.101","0.0838","","","0.2151","0.2348","","","","","","1.085","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118362","5.6687","0.0007","15.6022","0.0017","14.1563","0.0017","90","","90.501","0.006","90","","1252","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl)-3-hydroxy-2- methoxy-1,2-oxaphosphinane 2-oxide","","- C27 H31 O7 P -","- C27 H31 O7 P -","- C54 H62 O14 P2 -","2","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.2088","0.1282","","","0.3031","0.37","","","","","","1.159","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118363","9.1046","0.0005","12.9502","0.0006","30.533","0.002","90","","90","","90","","3600","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium (2R,3S,4S,5S,6R)-2-borane-3-acetoxy-4,5-bis(benzyloxy)-6- ((benzyloxy)methyl)-1,2-oxaphosphinan-2-olate","","- C34 H49 B N O7 P -","- C34 H49 B N O7 P -","- C136 H196 B4 N4 O28 P4 -","4","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0841","0.0591","","","0.1314","0.152","","","","","","1.09","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118364","49.576","0.005","49.576","0.005","9.938","0.002","90","","90","","120","","21153","5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H0 Co14 In18 N14 O224 -","- C270 Co14 In18 O224 -","- C270 Co14 In18 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1685","0.1244","","","0.3342","0.3596","","","","","","1.069","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118365","49.59","0.0003","49.59","0.0003","9.9168","0.0011","90","","90","","120","","21120","2","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H284 In18 N14 Ni14 O224 -","- C270 In18 Ni14 O224 -","- C270 In18 Ni14 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.2947","0.1427","","","0.3323","0.3656","","","","","","1.028","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118366","49.4418","0.0006","49.4418","0.0006","10.0065","0.0003","90","","90","","120","","21183.7","0.7","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C298 H284 In18 Mn14 N14 O224 -","- C270 In18 Mn14 O224 -","- C270 In18 Mn14 O224 -","1","0.166667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1609","0.134","","","0.3697","0.3827","","","","","","1.357","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118367","30.7158","0.0005","30.7158","0.0005","30.7158","0.0005","90","","90","","90","","28979.1","0.8","296","2","296","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C252 Co8 In6 N48 O96 -","- C252 Co8 In6 N48 O96 -","- C1008 Co32 In24 N192 O384 -","4","0.0416667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.1259","0.0901","","","0.2327","0.271","","","","","","1.102","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118368","30.7159","0.0006","30.7159","0.0006","30.7159","0.0006","90","","90","","90","","28979.4","1","296","2","296","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C252 H0 In6 N48 O96 Zn8 -","- C252 In6 N48 O96 Zn8 -","- C1008 In24 N192 O384 Zn32 -","4","0.0416667","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.119","0.0925","","","0.2456","0.2752","","","","","","1.189","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118369","22.788","0.0016","22.788","0.0016","17.154","0.003","90","","90","","90","","8908","1.8","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H24 Co In5 N0 O48 -","- C72 H24 Co In5 O48 -","- C144 H48 Co2 In10 O96 -","2","0.25","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.0886","0.0661","","","0.1566","0.169","","","","","","0.934","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118370","22.7219","0.0003","22.7219","0.0003","17.3033","0.0006","90","","90","","90","","8933.4","0.4","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C72 H24 In5 N0 O48 Zn -","- C72 H24 In5 O48 Zn -","- C144 H48 In10 O96 Zn2 -","2","0.25","","Shou-Tian Zheng; Chengyu Mao; Tao Wu; Sangyune Lee; Pingyun Feng; Xianhui Bu","Generalized Synthesis of Zeolite-Type Metal-Organic Frameworks Encapsulating Immobilized Transition-Metal Clusters","Journal of the American Chemical Society","2012","134","","11936","11939","10.1021/ja305181y","","","0.71073","MoKα","","0.0558","0.0502","","","0.1255","0.129","","","","","","1","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118371","7.3041","0.0006","7.3041","0.0006","8.164","0.0015","90","","90","","120","","377.2","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0259","0.025","","","0.0507","0.0511","","","","","","1.151","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118372","7.2829","0.0009","7.2829","0.0009","8.1691","0.0009","90","","90","","120","","375.24","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0269","0.0257","","","0.0506","0.0511","","","","","","1.132","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118373","7.272","0.0008","7.272","0.0008","8.1678","0.0009","90","","90","","120","","374.06","0.07","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0286","0.0263","","","0.0563","0.0566","","","","","","1.146","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118374","7.2649","0.0009","7.2649","0.0009","8.1683","0.0009","90","","90","","120","","373.35","0.08","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0314","0.0228","","","0.0494","0.0514","","","","","","1.113","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118375","7.2411","0.0008","7.2411","0.0008","8.1789","0.0008","90","","90","","120","","371.39","0.07","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0288","0.0213","","","0.0491","0.054","","","","","","1.237","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118376","7.2282","0.0004","7.2282","0.0004","8.1778","0.0004","90","","90","","120","","370.02","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0526","0.0314","","","0.059","0.07","","","","","","1.205","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118377","7.2138","0.0004","7.2138","0.0004","8.1805","0.0004","90","","90","","120","","368.67","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0248","0.0235","","","0.0527","0.0535","","","","","","1.156","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118378","7.1937","0.0004","7.1937","0.0004","8.1788","0.0004","90","","90","","120","","366.54","0.03","290","","290","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H6.34 N O6 Zn -","- C6 H12.68 N2 O12 Zn2 -","2","0.166667","","Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham","Negative Linear Compressibility of a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","11940","11943","10.1021/ja305196u","","x-ray","0.56087","AgKα","K-L~3~","0.0291","0.0273","","","0.0623","0.0631","","","","","","1.08","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118379","16.3363","0.0006","14.3221","0.0005","18.8718","0.0006","90","","90","","90","","4415.4","0.3","90","2","90","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C38 H26 Cs2 F14 N2 O8 Pd2 -","- C35 H20 Cs2 F14 N2 O7 Pd2 -","- C140 H80 Cs8 F56 N8 O28 Pd8 -","4","0.5","","Xing-Guo Zhang; Hui-Xiong Dai; Masayuki Wasa; Jin-Quan Yu","Pd(II)-Catalyzed Ortho Trifluoromethylation of Arenes and Insights into the Coordination Mode of Acidic Amide Directing Groups","Journal of the American Chemical Society","2012","134","","11948","11951","10.1021/ja305259n","","","0.71073","MoKα","","0.0248","0.0191","","","0.0413","0.0428","","","","","","1.037","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118380","13.9419","0.0008","22.1802","0.0012","31.5865","0.0013","90","","90","","90","","9767.6","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","CS-10084","hartwig09","","- C100 H136 Cl F6 Ir N2 O10 P2 -","- C100 H136 Cl F6 Ir N2 O10 P2 -","- C400 H544 Cl4 F24 Ir4 N8 O40 P8 -","4","1","","Christo S. Sevov; Jianrong (Steve) Zhou; John F. Hartwig","Iridium-Catalyzed Intermolecular Hydroamination of Unactivated Aliphatic Alkenes with Amides and Sulfonamides","Journal of the American Chemical Society","2012","134","","11960","11963","10.1021/ja3052848","","","0.71073","MoKα","","0.0736","0.057","","","0.1076","0.1141","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118381","14.5387","0.0005","17.1238","0.0006","38.6297","0.0013","90","","99.033","0.002","90","","9497.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(5,6)Sc3N@C80N-(4-isopropoxyphenyl)nitrene 0.88 benzene 0.12 CS2","","","- C94.4 H16.27 N2 O S0.24 Sc3 -","- C94.395 H16.274 N2 O S0.242 Sc3 -","- C755.16 H130.192 N16 O8 S1.936 Sc24 -","8","1","","Tong-Xin Liu; Tao Wei; San-E Zhu; Guan-Wu Wang; Mingzhi Jiao; Shangfeng Yang; Faye L. Bowles; Marilyn M. Olmstead; Alan L. Balch","Azide Addition to an Endohedral Metallofullerene: Formation of Azafulleroids of Sc3N@Ih-C80","Journal of the American Chemical Society","2012","134","","11956","11959","10.1021/ja305446v","","","0.7749","synchrotron","","0.0684","0.0546","","","0.144","0.158","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118382","41.62","0.01","34.203","0.004","19.61","0.01","90","","90","","90","","27915","16","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C162 H234 N18 O75 P12 Pt6 S12 -","- C150 H54 N18 O75 P12 Pt6 S12 -","- C600 H216 N72 O300 P48 Pt24 S48 -","4","0.5","","Sébastien Bivaud; Jean-Yves Balandier; Marcos Chas; Magali Allain; Sébastien Goeb; Marc Sallé","A Metal-Directed Self-Assembled Electroactive Cage with Bis(pyrrolo)tetrathiafulvalene (BPTTF) Side Walls","Journal of the American Chemical Society","2012","134","","11968","11970","10.1021/ja305451v","","x-ray","0.71073","MoKα","","","0.1862","","","","0.5863","","","","","","1.927","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118383","9.951","0.002","11.461","0.002","15.275","0.003","90","","90","","90","","1742.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 -","- C18 H28 N2 -","- C72 H112 N8 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.3409","0.0859","","","0.1055","0.1211","","","","","","0.876","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118384","19.009","0.004","15.288","0.003","7.6842","0.0015","90","","95.16","0.03","90","","2224.1","0.8","123","2","123","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C26 H30 N2 -","- C26 H30 N2 -","- C104 H120 N8 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.1675","0.0669","","","0.1482","0.2117","","","","","","0.892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118385","14.708","0.003","9.242","0.0018","17.761","0.004","90","","98.32","0.03","90","","2388.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N2 O4 -","- C24 H34 N2 O4 -","- C96 H136 N8 O16 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2812","0.0669","","","0.1282","0.2148","","","","","","0.904","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118386","23.684","0.003","23.684","0.003","16.094","0.003","90","","90","","90","","9028","2","293","2","293","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C25 H33 N3 O -","- C25 H33 N3 O -","- C400 H528 N48 O16 -","16","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2207","0.0725","","","0.1431","0.2163","","","","","","0.971","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118387","13.582","0.003","18.279","0.004","17.283","0.004","90","","96.6","0.03","90","","4262.3","1.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H64 N4 Ni -","- C45 H64 N4 Ni -","- C180 H256 N16 Ni4 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.2793","0.0739","","","0.0828","0.1205","","","","","","0.718","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118388","17.5048","0.0015","18.0868","0.0015","7.8839","0.0007","90","","91.904","0.001","90","","2494.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl O5 -","- C28 H33 Cl O5 -","- C112 H132 Cl4 O20 -","4","1","","Leonard Kaysser; Peter Bernhardt; Sang-Jip Nam; Sandra Loesgen; J. Graham Ruby; Peter Skewes-Cox; Paul R. Jensen; William Fenical; Bradley S. Moore","Merochlorins A-D, Cyclic Meroterpenoid Antibiotics Biosynthesized in Divergent Pathways with Vanadium-Dependent Chloroperoxidases","Journal of the American Chemical Society","2012","134","","11988","11991","10.1021/ja305665f","","","0.71073","MoKα","","0.0822","0.0452","","","0.098","0.1103","","","","","","1.029","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118389","10.4455","0.0003","10.4752","0.0003","29.5012","0.001","100.05","0.002","99.953","0.002","90.017","0.002","3129.07","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C168 H136 N8 O8 -","8","4","","Yi-Feng Wang; Hui Chen; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic Aliphatic C-H Oxygenation Directed by an Amidine Moiety","Journal of the American Chemical Society","2012","134","","11980","11983","10.1021/ja305833a","","","0.71073","MoKα","","0.0902","0.0574","","","0.1469","0.174","","","","","","1.03","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118390","12.3032","0.0012","5.6451","0.0005","12.6251","0.0009","90","","111.284","0.003","90","","817.04","0.12","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O -","- C21 H21 N O -","- C42 H42 N2 O2 -","2","1","","Yi-Feng Wang; Hui Chen; Xu Zhu; Shunsuke Chiba","Copper-Catalyzed Aerobic Aliphatic C-H Oxygenation Directed by an Amidine Moiety","Journal of the American Chemical Society","2012","134","","11980","11983","10.1021/ja305833a","","","0.71073","MoKα","","0.0352","0.0312","","","0.0751","0.0772","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118391","18.3125","0.0017","7.4191","0.0006","24.023","0.002","90","","103.336","0.002","90","","3175.8","0.5","100","2","100","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C21 H26 -","- C21 H26 -","- C168 H208 -","8","2","","Karavadhi Surendra; E. J. Corey","Highly Enantioselective Proton-Initiated Polycyclization of Polyenes","Journal of the American Chemical Society","2012","134","","11992","11994","10.1021/ja305851h","","","0.41328","synchrotron","","0.0936","0.0518","","","0.111","0.1462","","","","","","1.08","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118392","10.3362","0.0006","8.8687","0.0008","10.1656","0.0009","90","","91.514","0.008","90","","931.54","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 Fe4 Li4 O12 -","- B4 Fe4 Li4 O12 -","- B16 Fe16 Li16 O48 -","4","1","","Yuri Janssen; Derek S. Middlemiss; Shou-Hang Bo; Clare P. Grey; Peter G. Khalifah","Structural Modulation in the High Capacity Battery Cathode Material LiFeBO3","Journal of the American Chemical Society","2012","134","","12516","12527","10.1021/ja301881c","","x-ray","0.71073","","","","","","","","","","","","","","","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118393","6.634","0.019","7.46","0.02","16.24","0.04","90","","91.67","0.03","90","","803","4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C38 H36 Cl2 N2 O4 -","2","1","","Gen Zhang; Yunxia Ma; Shoulei Wang; Yaohu Zhang; Rui Wang","Enantioselective Metal/Organo-Catalyzed Aerobic Oxidative sp3 C-H Olefination of Tertiary Amines Using Molecular Oxygen as the Sole Oxidant","Journal of the American Chemical Society","2012","134","","12334","12337","10.1021/ja303333k","","","0.71073","MoKα","","0.1007","0.0573","","","0.1217","0.1458","","","","","","1.01","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118394","16.2692","0.0019","14.4294","0.0016","36.797","0.004","90","","102.173","0.002","90","","8444","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H108 B2 Fe2 N O3 P6 -","- C102 H108 B2 Fe2 N O3 P6 -","- C408 H432 B8 Fe8 N4 O12 P24 -","4","1","","R. Adam Kinney; Caroline T. Saouma; Jonas C. Peters; Brian M. Hoffman","Modeling the Signatures of Hydrides in Metalloenzymes: ENDOR Analysis of a Di-iron Fe(μ-NH)(μ-H)Fe Core","Journal of the American Chemical Society","2012","134","","12637","12647","10.1021/ja303739g","","","0.71073","MoKα","","0.1115","0.062","","","0.1391","0.1607","","","","","","1.031","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118395","7.875","0.003","14.873","0.005","4.5444","0.0015","90","","90","","90","","532.3","0.3","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca0.68 Eu1.32 Ge2 Pb -","- Ca0.676 Eu1.324 Ge2 Pb -","- Ca2.704 Eu5.296 Ge8 Pb4 -","4","0.5","","Nian-Tzu Suen; James Hooper; Eva Zurek; Svilen Bobev","On the Nature of Ge-Pb Bonding in the Solid State. Synthesis, Structural Characterization, and Electronic Structures of Two Unprecedented Germanide-Plumbides","Journal of the American Chemical Society","2012","134","","12708","12716","10.1021/ja3042838","","","0.71073","MoKα","","0.0203","0.0182","","","0.0378","0.0385","","","","","","1.034","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118396","3.989","0.0014","15.243","0.005","4.5365","0.0016","90","","90","","90","","275.84","0.16","200","2","200","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Eu1.6 Ge2 Pb Sr0.4 -","- Eu1.596 Ge2 Pb Sr0.404 -","- Eu3.192 Ge4 Pb2 Sr0.808 -","2","0.125","","Nian-Tzu Suen; James Hooper; Eva Zurek; Svilen Bobev","On the Nature of Ge-Pb Bonding in the Solid State. Synthesis, Structural Characterization, and Electronic Structures of Two Unprecedented Germanide-Plumbides","Journal of the American Chemical Society","2012","134","","12708","12716","10.1021/ja3042838","","","0.71073","MoKα","","0.0297","0.0279","","","0.0601","0.0605","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118397","23.697","0.01","16.49","0.006","11.23","0.005","90","0.0015","111.69","0.0019","90","0.0015","4078","3","103.15","","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl3 O3 P S -","- C17 H20 Cl3 O3 P S -","- C136 H160 Cl24 O24 P8 S8 -","8","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.7107","MoKα","","0.0646","0.0476","","","0.0893","0.0959","","","","","","1.089","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118398","8.082","0.003","15.462","0.006","25.416","0.011","90","","90","","90","","3176","2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Cl6 O5 P S -","- C28 H25 Cl6 O5 P S -","- C112 H100 Cl24 O20 P4 S4 -","4","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.71075","MoKα","","0.0891","0.0753","","","0.1627","0.1736","","","","","","1.096","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118399","11.915","0.003","21.699","0.005","22.52","0.006","114.526","0.004","98.007","0.0015","94.549","0.003","5184","2","93.15","","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H103 F6 O24 P3 Pd3 S3 -","- C110 H103 F6 O24 P3 Pd3 S3 -","- C220 H206 F12 O48 P6 Pd6 S6 -","2","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.71075","MoKα","","0.0748","0.0579","","","0.1188","0.13","","","","","","1.094","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118400","24.2912","0.0018","8.2539","0.0006","11.5292","0.0007","90","","91.22","0.04","90","","2311","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0545","","","","0.0966","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118401","24.3004","0.0019","8.1645","0.0007","11.2542","0.0008","90","","92.045","0.004","90","","2231.4","0.3","13","","13","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0419","","","","0.0618","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118402","24.2761","0.0018","8.159","0.0006","11.2577","0.0008","90","","92.02","0.004","90","","2228.4","0.3","40","","40","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0441","","","","0.0375","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118403","24.2832","0.0018","8.1703","0.0006","11.281","0.0008","90","","91.942","0.004","90","","2236.9","0.3","65","","65","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0393","","","","0.067","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118404","24.2881","0.0018","8.1785","0.0007","11.3075","0.0008","90","","91.842","0.0004","90","","2245","0.3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0535","","","","0.0565","","","","","","1.255","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118405","24.298","0.0019","8.1698","0.0007","11.3283","0.0008","90","","91.664","0.004","90","","2247.8","0.3","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0541","","","","0.0646","","","","","","1.271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118406","24.291","0.0018","8.1925","0.0006","11.3719","0.0008","90","","91.677","0.004","90","","2262.1","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0535","","","","0.0417","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118407","24.2767","0.0017","8.1964","0.0006","11.3949","0.0007","90","","91.586","0.004","90","","2266.5","0.3","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0581","","","","0.0929","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118408","24.2726","0.0017","8.1912","0.0006","11.3966","0.0007","90","","91.501","0.004","90","","2265.1","0.3","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0589","","","","0.0506","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118409","24.275","0.0018","8.2202","0.0006","11.4529","0.0007","90","","91.352","0.004","90","","2284.7","0.3","250","","250","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu S12 -","- C16 H12 Cu S12 -","- C64 H48 Cu4 S48 -","4","0.5","","Biao Zhou; Yuki Idobata; Akiko Kobayashi; HengBo Cui; Reizo Kato; Rina Takagi; Kazuya Miyagawa; Kazushi Kanoda; Hayao Kobayashi","Single-Component Molecular Conductor [Cu(dmdt)2] with Three-Dimensionally Arranged Magnetic Moments Exhibiting a Coupled Electric and Magnetic Transition","Journal of the American Chemical Society","2012","134","","12724","12731","10.1021/ja3044757","","","0.7107","MoKα","","","0.0557","","","","0.1433","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118410","8.4676","0.0018","9.549","0.002","15.57","0.003","90","","90","","90","","1258.9","0.4","223","2","223","2","","","","","","","","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","","Daiki Umeyama; Satoshi Horike; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa","Inherent Proton Conduction in a 2D Coordination Framework","Journal of the American Chemical Society","2012","134","","12780","12785","10.1021/ja304693r","","","0.71075","MoKα","","0.0555","0.0458","","","0.1454","0.161","","","","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118411","16.0415","0.0008","17.54","0.0009","21.4178","0.0011","90.053","0.001","99.441","0.001","110.809","0.001","5545.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H172 N2 O12 U2 -","- C128 H172 N2 O12 U2 -","- C256 H344 N4 O24 U4 -","2","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.075","0.0429","","","0.0984","0.112","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118412","28.114","0.003","18.5122","0.0018","21.76","0.002","90","","109.604","0.002","90","","10668.6","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C123 H160 N2 O10 U2 -","- C123.004 H160.01 N2 O10.002 U2 -","- C492.016 H640.04 N8 O40.008 U8 -","4","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.0562","0.0427","","","0.0841","0.0863","","","","","","1.874","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118413","15.308","0.002","16.227","0.0008","22.224","0.003","102.031","0.005","101.942","0.009","91.137","0.008","5270.9","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H162 N2 O8 U2 -","- C124 H152 N2 O8 U2 -","- C248 H304 N4 O16 U4 -","2","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.0653","0.0363","","","0.0711","0.0802","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118414","16.441","0.002","28.227","0.003","25.512","0.003","90","","104.997","0.003","90","","11436","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H175 N2 O9 U2 -","- C138 H170 N2 O9 U2 -","- C552 H680 N8 O36 U8 -","4","1","","Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer","Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes","Journal of the American Chemical Society","2012","134","","12792","12797","10.1021/ja3047393","","","0.71073","MoKα","","0.0655","0.0408","","","0.0959","0.1092","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118415","7.136","0.0015","9.2544","0.0019","19.013","0.004","90","","90","","90","","1255.6","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0493","0.0451","","","0.1123","0.1144","","","","","","1.093","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118416","6.3855","0.0008","29.839","0.004","7.4877","0.0009","90","","109.527","0.002","90","","1344.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 O2 Si -","- C12 H24 O2 Si -","- C48 H96 O8 Si4 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.1195","0.1098","","","0.2395","0.2442","","","","","","1.308","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118417","10.0113","0.0008","7.6975","0.0006","17.9712","0.0015","90","","105.615","0.002","90","","1333.78","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 O2 Si -","- C13 H24 O2 Si -","- C52 H96 O8 Si4 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0596","0.0476","","","0.1128","0.1188","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118418","7.497","0.0005","18.6164","0.0012","11.6874","0.0008","90","","101.693","0.007","90","","1597.33","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0667","0.0465","","","0.1087","0.1194","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118419","11.1096","0.0005","7.8801","0.0003","13.7447","0.0006","90","","110.92","0.005","90","","1123.96","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C48 H88 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0514","0.0419","","","0.0981","0.1049","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118420","13.1666","0.0007","26.4092","0.0016","10.3219","0.0006","90","","111.782","0.004","90","","3332.9","0.3","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H55 Cl2 In N2 O2 -","- C31 H55 Cl2 In N2 O2 -","- C124 H220 Cl8 In4 N8 O8 -","4","2","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0992","0.0701","","","0.177","0.1991","","","","","","1.009","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118421","8.29","0.0003","12.3742","0.0005","12.9732","0.0005","90","","98.477","0.002","90","","1316.28","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 I2 In N3 O -","- C22 H36 I2 In N3 O -","- C44 H72 I4 In2 N6 O2 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0313","0.0282","","","0.0629","0.0643","","","","","","1.095","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4118422","9.328","0.0006","11.9779","0.0009","14.8126","0.0009","81.227","0.004","84.778","0.004","69.172","0.004","1527.55","0.18","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H84 Cl8 I2 In2 N4 O4 -","- C48 H84 Cl8 I2 In2 N4 O4 -","- C48 H84 Cl8 I2 In2 N4 O4 -","1","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0453","0.0299","","","0.055","0.0597","","","","","","1.016","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118423","10.4732","0.0006","10.9899","0.0006","11.9172","0.0007","84.305","0.003","86.763","0.003","79.914","0.003","1342.73","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 I In N2 O2 -","- C25 H44 I In N2 O2 -","- C50 H88 I2 In2 N4 O4 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0446","0.0255","","","0.0528","0.0596","","","","","","1.028","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118424","10.5934","0.0002","17.4212","0.0004","15.661","0.0003","90","","102.128","0.001","90","","2825.73","0.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H83 I2 In2 N4 O4 -","- C48 H83 I2 In2 N4 O4 -","- C96 H166 I4 In4 N8 O8 -","2","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0289","0.0255","","","0.0578","0.0599","","","","","","1.076","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118425","10.3684","0.0008","11.195","0.0008","14.5462","0.0011","102.916","0.004","102.609","0.004","101.865","0.004","1547.5","0.2","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H100 I2 In2 N4 O8 -","- C56 H100 I2 In2 N4 O8 -","- C56 H100 I2 In2 N4 O8 -","1","1","","Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi","Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity","Journal of the American Chemical Society","2012","134","","12758","12773","10.1021/ja3048046","","","0.71073","MoKα","","0.0389","0.0326","","","0.0793","0.0861","","","","","","1.076","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118426","4.619","0.0002","18.6734","0.0006","35.2274","0.001","90","","90","","90","","3038.45","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br O2 -","- C15 H17 Br O2 -","- C120 H136 Br8 O16 -","8","2","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","1.54178","CuKα","","0.0459","0.0377","","","0.0831","0.086","","","","","","1.023","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118427","23.6367","0.0008","4.8124","0.0002","16.9657","0.0006","90","","118.196","0.003","90","","1700.83","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","1.54178","CuKα","","0.0409","0.0331","","","0.0702","0.0736","","","","","","1.045","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118428","7.6609","0.0004","5.2659","0.0003","17.452","0.0008","90","","97.885","0.003","90","","697.38","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 S -","- C15 H18 O2 S -","- C30 H36 O4 S2 -","2","1","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","0.71073","MoKα","","0.0305","0.0271","","","0.0661","0.0679","","","","","","1.041","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118429","10.4852","0.0009","13.3205","0.0011","17.2875","0.0017","90","","90","","90","","2414.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl2 N O2 -","- C26 H31 Cl2 N O2 -","- C104 H124 Cl8 N4 O8 -","4","1","","Brian S. Lucas; Benjamin Fisher; Lawrence R. McGee; Steven H. Olson; Julio C. Medina; Eugene Cheung","An Expeditious Synthesis of the MDM2-p53 Inhibitor AM-8553","Journal of the American Chemical Society","2012","134","","12855","12860","10.1021/ja305123v","","","1.54178","CuKα","","0.0835","0.0664","","","0.1672","0.1817","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118430","9.1958","0.0007","13.9189","0.0011","12.6004","0.001","90","","104.126","0.001","90","","1564","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C68 H108 N4 O12 -","4","1","","Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao","Protecting Group-Free Total Synthesis of (-)-Lannotinidine B","Journal of the American Chemical Society","2012","134","","12323","12325","10.1021/ja305261h","","","0.71073","MoKα","","0.0363","0.0341","","","0.0944","0.0964","","","","","","1.05","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118431","7.0468","0.0004","7.1015","0.0004","15.3922","0.0008","87.122","0.004","83.596","0.005","74.946","0.005","739.01","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 Cl N O -","- C16 H26 Cl N O -","- C32 H52 Cl2 N2 O2 -","2","2","","Hui Ming Ge; Lan-De Zhang; Ren Xiang Tan; Zhu-Jun Yao","Protecting Group-Free Total Synthesis of (-)-Lannotinidine B","Journal of the American Chemical Society","2012","134","","12323","12325","10.1021/ja305261h","","","0.71073","MoKα","","0.056","0.0527","","","0.145","0.1467","","","","","","1.081","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118432","7.5258","0.0013","16.3434","0.0045","17.6314","0.0049","90","","94.065","0.015","90","","2163.2","0.9","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N10 Ni O8 S2 -","- C30 H32 N10 Ni O8 S2 -","- C60 H64 N20 Ni2 O16 S4 -","2","0.5","","Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro","Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification","Journal of the American Chemical Society","2012","134","","12830","12843","10.1021/ja305267m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118433","7.45297","0.00044","15.0032","0.0013","17.612","0.0026","90","","91.2922","0.0055","90","","1968.8","0.4","363","","363","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N9 Ni O7 S2 -","- C27 H25 N9 Ni O7 S2 -","- C54 H50 N18 Ni2 O14 S4 -","2","0.5","","Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro","Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification","Journal of the American Chemical Society","2012","134","","12830","12843","10.1021/ja305267m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118434","7.45937","0.00048","15.5887","0.0018","17.1515","0.0031","90","","91.6479","0.0082","90","","1993.6","0.4","523","","523","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N8 Ni O6 S2 -","- C24 H18 N8 Ni O6 S2 -","- C48 H36 N16 Ni2 O12 S4 -","2","0.5","","Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro","Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification","Journal of the American Chemical Society","2012","134","","12830","12843","10.1021/ja305267m","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118435","38.135","0.003","10.364","0.002","25.782","0.002","90","","112.2","0.02","90","","9434","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Cl2 F3 N3 O7.5 Re S -","- C46 H48 Cl2 F3 N3 O7.5 Re S -","- C368 H384 Cl16 F24 N24 O60 Re8 S8 -","8","1","","Martin Kuss-Petermann; Hilke Wolf; Dietmar Stalke; Oliver S. Wenger","Influence of Donor-Acceptor Distance Variation on Photoinduced Electron and Proton Transfer in Rhenium(I)-Phenol Dyads","Journal of the American Chemical Society","2012","134","","12844","12854","10.1021/ja3053046","","","0.71073","MoKα","","0.0464","0.0279","","","0.0499","0.0548","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118436","7.5941","0.0015","11.207","0.002","14.909","0.003","90","","94.05","0.03","90","","1265.7","0.4","571","2","571","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H28 O7 -","- C30 H28 O7 -","- C60 H56 O14 -","2","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","0.71073","MoKα","","0.168","0.0518","","","0.0498","0.0577","","","","","","0.745","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118437","9.988","0.005","7.091","0.003","19.356","0.009","90","","94.828","0.009","90","","1366","1.1","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O7 -","- C30 H30 O7 -","- C60 H60 O14 -","2","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","0.71073","MoKα","","0.0722","0.064","","","0.1058","0.1092","","","","","","1.172","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118438","8.6537","0.0012","12.5475","0.0017","25.388","0.003","90","","90","","90","","2756.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl2 O6 -","- C31 H32 Cl2 O6 -","- C124 H128 Cl8 O24 -","4","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","1.54186","CuKα","","0.108","0.0939","","","0.2337","0.2492","","","","","","1.109","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118439","12.6693","0.0018","15.589","0.002","12.7899","0.0018","90","","90.318","0.002","90","","2526","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H51 Cl4 I N2 O2 Ru -","- C54 H51 Cl4 I N2 O2 Ru -","- C108 H102 Cl8 I2 N4 O4 Ru2 -","2","1","","R. Kashif M. Khan; Adil R. Zhugralin; Sebastian Torker; Robert V. O'Brien; Pamela J. Lombardi; Amir H. Hoveyda","Synthesis, Isolation, Characterization, and Reactivity of High-Energy Stereogenic-at-Ru Carbenes: Stereochemical Inversion through Olefin Metathesis and Other Pathways","Journal of the American Chemical Society","2012","134","","12438","12441","10.1021/ja3056722","","","0.71073","MoKα","","0.0641","0.0504","","","0.1223","0.1328","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118440","14.4187","0.0007","9.2805","0.0005","15.6456","0.0008","90","","97.2292","0.0006","90","","2076.94","0.18","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 O Si -","- C21 H34 O Si -","- C84 H136 O4 Si4 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0487","0.037","","","0.0939","0.1021","","","","","","1.031","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118441","14.643","0.0008","9.0342","0.0005","14.9309","0.0008","90","","99.655","0.0007","90","","1947.2","0.18","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O Si -","- C20 H32 O Si -","- C80 H128 O4 Si4 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0414","0.0347","","","0.092","0.0969","","","","","","1.037","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118442","8.1378","0.0007","12.5293","0.001","30.853","0.003","90","","90","","90","","3145.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O2 Si2 -","- C30 H54 O2 Si2 -","- C120 H216 O8 Si8 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0285","0.0269","","","0.0684","0.0694","","","","","","1.11","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118443","10.1036","0.0008","13.2601","0.0011","16.4985","0.0013","92.8478","0.001","104.675","0.001","94.8505","0.001","2124.8","0.3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H36 O2 Si -","- C21 H36 O2 Si -","- C84 H144 O8 Si4 -","4","2","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0505","0.0445","","","0.1193","0.124","","","","","","1.038","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118444","13.0479","0.0004","14.4505","0.0005","24.4704","0.0008","90","","90","","90","","4613.9","0.3","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H38 O3 Si -","- C23 H38 O3 Si -","- C184 H304 O24 Si8 -","8","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0763","0.0696","","","0.1892","0.197","","","","","","1.027","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118445","33.762","0.004","29.058","0.004","23.261","0.003","90","","112.789","0.002","90","","21039","5","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","[4]cyclo-3,9-chrysenylene","","- C120 H136 -","- C120 H136 -","- C960 H1088 -","8","1","","Shunpei Hitosugi; Takashi Yamasaki; Hiroyuki Isobe","Bottom-up Synthesis and Thread-in-Bead Structures of Finite (n,0)-Zigzag Single-Wall Carbon Nanotubes","Journal of the American Chemical Society","2012","134","","12442","12445","10.1021/ja305723j","","","0.71073","MoKα","","0.157","0.1285","","","0.3642","0.3853","","","","","","1.504","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118446","8.6055","0.001","8.1966","0.0009","19.405","0.002","90","","100.105","0.002","90","","1347.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 O3 P -","- C12 H19 O3 P -","- C48 H76 O12 P4 -","4","2","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","0.71073","MoKα","","0.0568","0.0491","","","0.1169","0.1234","","","","","","1.03","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118447","8.2186","0.0011","6.2179","0.0009","12.3208","0.0017","90","","96.635","0.003","90","","625.41","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 O4 P -","- C13 H15 O4 P -","- C26 H30 O8 P2 -","2","1","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","0.71073","MoKα","","0.0335","0.0326","","","0.0827","0.0837","","","","","","1.056","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118448","9.8201","0.0003","9.8553","0.0003","17.5142","0.0006","93.279","0.002","101.951","0.003","97.077","0.002","1639.67","0.09","133","2","133","2","","","","","","","","8","P 1","P 1","1","","","","- C67 H62 F3 N4 O11 P2 Rh S -","- C67 H62 F3 N4 O11 P2 Rh S -","- C67 H62 F3 N4 O11 P2 Rh S -","1","1","","Kaiwu Dong; Zheng Wang; Kuiling Ding","Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids","Journal of the American Chemical Society","2012","134","","12474","12477","10.1021/ja305780z","","","1.54178","CuKα","","0.0969","0.0866","","","0.2207","0.2323","","","","","","0.989","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118449","29.831","0.001","10.971","0.001","16.524","0.001","90","","123.193","0.001","90","","4525.5","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","A Molecular Gyrotop","","","- C48 H82 Si2 -","- C48 H82 Si2 -","- C192 H328 Si8 -","4","0.5","","Wataru Setaka; Kentaro Yamaguchi","A Molecular Balloon: Expansion of a Molecular Gyrotop Cage Due to Rotation of the Phenylene Rotor","Journal of the American Chemical Society","2012","134","","12458","12461","10.1021/ja305822e","","","0.7","synchrotron","","0.0764","0.0674","","","0.1796","0.1909","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118450","11.994","0.002","11.994","0.002","14.639","0.003","90","","90","","120","","1823.8","0.6","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ce Ga7.87 Pd3.13 -","- Ce Ga7.86467 Pd3.13533 -","- Ce9 Ga70.782 Pd28.218 -","9","0.25","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0441","0.0376","","","0.0672","0.0692","","","","","","1.187","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118451","11.8617","0.0006","11.9511","0.0005","8.5065","0.0003","90","","90","","90","","1205.88","0.09","298","2","298","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ce Ga7.79 Pd3.21 -","- Ce Ga7.79333 Pd3.20667 -","- Ce6 Ga46.76 Pd19.24 -","6","0.75","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0501","0.0417","","","0.0942","0.0988","","","","","","1.095","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118452","8.4643","0.0009","8.4643","0.0009","8.4643","0.0009","90","","90","","90","","606.42","0.11","298","2","298","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ce Ga8.1 Pd2.9 -","- Ce Ga8.13333 Pd2.86667 -","- Ce3 Ga24.4 Pd8.6 -","3","0.0625","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.0386","0.0352","","","0.0584","0.0592","","","","","","1.402","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118453","11.88226","0.00002","11.97582","0.00002","8.533818","0.000015","90","","90","","90","","1214.36","0.004","295","","295","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ce Ga7.819 Pd3.181 -","- Ce Ga7.79867 Pd3.20133 -","- Ce6 Ga46.792 Pd19.208 -","6","0.75","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","powder diffraction","x-ray","0.41361","","","0.0397","0.0385","","0.0441","0.0439","","","","1.42","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118454","16.8984","0.0008","16.8984","0.0008","16.8984","0.0008","90","","90","","90","","4825.4","0.4","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce Ga8.31 Pd2.69 -","- Ce Ga8.31333 Pd2.68667 -","- Ce24 Ga199.52 Pd64.48 -","24","0.125","","Melanie C. Francisco; Christos D. Malliakas; Robin T. Macaluso; Joseph Prestigiacomo; Neel Haldolaarachchige; Philip W. Adams; David P. Young; Ying Jia; Helmut Claus; K.E. Gray; Mercouri G. Kanatzidis","Structures and Phase Transitions of CePd3+xGa8-x: New Variants of the BaHg11 Structure Type","Journal of the American Chemical Society","2012","134","","12998","13009","10.1021/ja302812s","","","0.71073","MoKα","","0.043","0.0397","","","0.0706","0.0718","","","","","","1.312","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118455","12.521","0.006","15.079","0.007","22.635","0.01","90","","102","0.007","90","","4180","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 N3 O1.5 V -","- C43 H63 N3 O1.5 V -","- C172 H252 N12 O6 V4 -","4","1","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.2091","0.0687","","","0.1111","0.1497","","","","","","0.95","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118456","13.409","0.005","19.013","0.007","19.713","0.007","90","","96.58","0.007","90","","4993","3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H78 N4 O2 V -","- C52 H78 N4 O2 V -","- C208 H312 N16 O8 V4 -","4","1","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.1067","0.055","","0.1419","0.1235","0.1419","","","","","","1.0071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118457","20.767","0.002","19.76","0.002","10.9044","0.0013","90","","90","","90","","4474.7","0.8","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H70 N2 O V -","- C46 H70 N2 O V -","- C184 H280 N8 O4 V4 -","4","0.5","","Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola","A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?","Journal of the American Chemical Society","2012","134","","13035","13045","10.1021/ja303360v","","","0.71073","MoKα","","0.072","0.0481","","0.134","0.1112","0.134","","","","","","1.0237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118458","21.122","0.004","8.837","0.0017","15.91","0.003","90","","106.517","0.003","90","","2847.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZn(n-Pr)","","","- C26.5 H42 B N3 O3 Zn -","- C26.5 H36 B N3 O3 Zn -","- C106 H144 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0545","0.0399","","","0.1116","0.1209","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118459","8.923","0.004","12.263","0.005","24.961","0.011","90","","95.813","0.007","90","","2717","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ToMZnOOnPr","","","- C24 H36 B N3 O5 Zn -","- C24 H36 B N3 O5 Zn -","- C96 H144 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0927","0.0695","","","0.1667","0.178","","","","","","1.284","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118460","12.3951","0.0005","14.1997","0.0007","17.5742","0.0009","90","","99.652","0.001","90","","3049.4","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ToMZnEt","","","- C30 H42 B N3 O3 Zn -","- C30 H42 B N3 O3 Zn -","- C120 H168 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0392","0.0285","","","0.0729","0.0781","","","","","","1.038","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118461","8.835","0.007","21.999","0.015","14.222","0.014","90","","106.678","0.011","90","","2648","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZntBu","","","- C25 H38 B N3 O3 Zn -","- C25 H38 B N3 O3 Zn -","- C100 H152 B4 N12 O12 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.09","0.0494","","","0.0911","0.1129","","","","","","1.064","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118462","10.9684","0.0005","11.3768","0.0005","13.7524","0.0007","91.326","0.001","90.774","0.001","115.505","0.001","1547.92","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","ToMZnPh","","","- C31 H42 B N3 O4 Zn -","- C31 H42 B N3 O4 Zn -","- C62 H84 B2 N6 O8 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.056","0.0489","","","0.137","0.1429","","","","","","1.026","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118463","14.715","0.0019","15.19","0.002","15.357","0.002","92.092","0.002","107.853","0.002","106.327","0.002","3107.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ToMZnCH2Ph","","","- C29.75 H38 B N3 O3 Zn -","- C29.75 H38 B N3 O3 Zn -","- C119 H152 B4 N12 O12 Zn4 -","4","2","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.071","0.0484","","","0.1487","0.1633","","","","","","1.038","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118464","17.5899","0.0014","9.3476","0.0008","15.935","0.0013","90","","90.569","0.001","90","","2620","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZnOOEt","","","- C23 H34 B N3 O5 Zn -","- C23 H34 B N3 O5 Zn -","- C92 H136 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0411","0.0323","","","0.0882","0.0981","","","","","","1.068","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118465","19.7541","0.0019","8.777","0.0009","15.5077","0.0015","90","","100.552","0.001","90","","2643.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ToMZnOOiPr","","","- C24 H36 B N3 O5 Zn -","- C24 H36 B N3 O5 Zn -","- C96 H144 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0471","0.0369","","","0.1085","0.1159","","","","","","1.026","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118466","9.1822","0.0012","11.8878","0.0015","13.71","0.0018","99.323","0.002","107.483","0.002","92.158","0.002","1402.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ToMZnOOtBu","","","- C25 H38 B N3 O5 Zn -","- C25 H38 B N3 O5 Zn -","- C50 H76 B2 N6 O10 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0478","0.0358","","","0.0836","0.0897","","","","","","1.011","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118467","8.916","0.002","22.469","0.006","16.055","0.004","90","","104.468","0.004","90","","3114.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ToMZnOOCMe2Ph","","","- C30 H40 B N3 O5 Zn -","- C30 H40 B N3 O5 Zn -","- C120 H160 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.0702","0.0441","","","0.1042","0.119","","","","","","1.007","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118468","10.829","0.003","16.664","0.004","17.448","0.005","99.376","0.006","104.706","0.005","94.808","0.005","2978.8","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ToM2Zn","bis(tris(4,4-dimethyl-2-oxazolinyl)phenyl)borato)zinc","","- C59.5 H78 B2 N6 O6 Zn -","- C56 H74 B2 N6 O6 Zn -","- C112 H148 B4 N12 O12 Zn2 -","2","1","","Debabrata Mukherjee; Arkady Ellern; Aaron D. Sadow","Remarkably Robust Monomeric Alkylperoxyzinc Compounds from Tris(oxazolinyl)boratozinc Alkyls and O2","Journal of the American Chemical Society","2012","134","","13018","13026","10.1021/ja303440n","","","0.71073","MoKα","","0.1027","0.0839","","","0.2351","0.2505","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118469","4.0276","0.0001","4.02761","","27.3441","0.0004","90","","90","","90","","443.565","0.013","","","298","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- As4 Ba2 Fe2 O Ti2 -","- As4 Ba2 Fe2 O Ti2 -","- As8 Ba4 Fe4 O2 Ti4 -","2","0.0625","","Yun-Lei Sun; Hao Jiang; Hui-Fei Zhai; Jin-Ke Bao; Wen-He Jiao; Qian Tao; Chen-Yi Shen; Yue-Wu Zeng; Zhu-An Xu; Guang-Han Cao","Ba2Ti2Fe2As4O: A New Superconductor Containing Fe2As2 Layers and Ti2O Sheets","Journal of the American Chemical Society","2012","134","","12893","12896","10.1021/ja304315e","powder diffraction","","1.54179","CuK_alpha1,K_alpha2","","","","","","","","","","1.4","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118470","11.574","0.009","12.767","0.01","16.533","0.014","90","","90","","90","","2443","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 Fe2 O4 P2 S2 -","- C17 H32 Fe2 O4 P2 S2 -","- C68 H128 Fe8 O16 P8 S8 -","4","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0641","0.0427","","","0.1002","0.1181","","","","","","0.954","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118471","14.986","0.005","23.932","0.008","16.726","0.006","90","","110.896","0.004","90","","5604","3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H32 F6 Fe2 O4 P3 S2 -","- C17 H32 F6 Fe2 O4 P3 S2 -","- C136 H256 F48 Fe16 O32 P24 S16 -","8","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0484","0.0284","","","0.061","0.0692","","","","","","1.006","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118472","18.053","0.006","7.261","0.002","21.693","0.007","90","","94.324","0.004","90","","2835.5","1.5","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C16 H32.2 Fe2 N O4.1 P2 S2 -","- C16 H32.2 Fe2 N O4.1 P2 S2 -","- C64 H128.8 Fe8 N4 O16.4 P8 S8 -","4","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0748","0.0587","","","0.1524","0.165","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118473","10.847","0.002","11.967","0.002","12.04","0.002","66.104","0.002","84.174","0.002","79.316","0.002","1403.5","0.4","110","2","110","2","","","","","","","","10","P -1","-P 1","2","","","","- C15 H30 B Cl2 F4 Fe2 N O4 P2 S2 -","- C15 H30 B Cl2 F4 Fe2 N O4 P2 S2 -","- C30 H60 B2 Cl4 F8 Fe4 N2 O8 P4 S4 -","2","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0479","0.0404","","","0.1146","0.1205","","","","","","1.042","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118474","5.9788","0.0003","15.7539","0.0009","17.1082","0.001","90","","90","","90","","1611.41","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl N2 O3 -","- C15 H21 Cl N2 O3 -","- C60 H84 Cl4 N8 O12 -","4","1","","Ana Crespo-Peña; David Monge; Eloísa Martín-Zamora; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Asymmetric Formal Carbonyl-Ene Reactions of Formaldehyde tert-Butyl Hydrazone with α-Keto Esters: Dual Activation by Bis-urea Catalysts","Journal of the American Chemical Society","2012","134","","12912","12915","10.1021/ja305209w","","","0.71073","MoKα","","0.0463","0.0409","","","0.106","0.1117","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118475","12.3447","0.0004","12.3447","0.0004","5.9591","0.0003","90","","90","","120","","786.45","0.05","173","2","173","2","","","","","","","","4","P 31","P 31","144","","","","- C9 H12 O4 S -","- C9 H12 O4 S -","- C27 H36 O12 S3 -","3","1","","Ana Crespo-Peña; David Monge; Eloísa Martín-Zamora; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Asymmetric Formal Carbonyl-Ene Reactions of Formaldehyde tert-Butyl Hydrazone with α-Keto Esters: Dual Activation by Bis-urea Catalysts","Journal of the American Chemical Society","2012","134","","12912","12915","10.1021/ja305209w","","","0.71073","MoKα","","0.036","0.0322","","","0.0808","0.084","","","","","","1.035","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118476","11.6354","0.0009","12.6447","0.001","15.6781","0.0011","71.62","0.004","69.603","0.004","63.746","0.004","1903","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H47 N O8 -","- C44 H47 N O8 -","- C88 H94 N2 O16 -","2","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","0.71073","MoKα","","0.064","0.0435","","","0.1015","0.1135","","","","","","1.017","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118477","24.1823","0.0014","12.2311","0.0007","24.7388","0.0013","90","","90","","90","","7317.1","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H42 N2 O9 -","- C36 H42 N2 O9 -","- C288 H336 N16 O72 -","8","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","1.54178","CuKα","","0.0641","0.0609","","","0.1647","0.1672","","","","","","1.054","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118478","6.3478","0.0002","12.4544","0.0004","30.1079","0.001","90","","90","","90","","2380.27","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O8 -","- C28 H28 O8 -","- C112 H112 O32 -","4","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","1.54178","CuKα","","0.0238","0.0237","","","0.0613","0.0614","","","","","","1.036","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118479","12.6455","0.0013","20.498","0.002","23.256","0.002","90","","91.352","0.005","90","","6026.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 Cl3 N4 O6 P3 -","- C64.96 H63.88 Cl3 N4 O6 P2.99 -","- C259.84 H255.52 Cl12 N16 O24 P11.96 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0768","0.0535","","","0.1288","0.1404","","","","","","1.1","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118480","18.0377","0.0012","22.4938","0.0014","18.8096","0.0011","90","","110.227","0.003","90","","7161.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H87 Cl5 N5 O6 P2 -","- C77 H87 Cl5 N5 O6 P2 -","- C308 H348 Cl20 N20 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.1488","0.0713","","","0.1676","0.2064","","","","","","1.018","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118481","29.56","0.005","29.302","0.004","29.361","0.005","90","","91.914","0.007","90","","25417","7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.88 H61.75 Cl4.75 N5 O6 P2 -","- C67.875 H61.75 Cl4.675 N5 O6 P2 -","- C1086 H988 Cl74.8 N80 O96 P32 -","16","2","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.2647","0.1782","","","0.3986","0.456","","","","","","1.048","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118482","16.4602","0.0005","19.4188","0.0006","21.0109","0.0007","90","","111.798","0.002","90","","6235.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 Cl5 N4 O6 P3 -","- C66 H66 Cl5 N4 O6 P3 -","- C264 H264 Cl20 N16 O24 P12 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0758","0.0575","","","0.1556","0.1683","","","","","","1.044","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118483","13.923","0.0011","24.8975","0.0016","16.6359","0.0013","90","","100.953","0.003","90","","5661.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H61 Cl N6 O6 P2 -","- C68 H61 Cl N6 O6 P2 -","- C272 H244 Cl4 N24 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0846","0.0543","","","0.1304","0.1473","","","","","","1.018","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118484","11.097","0.003","21.896","0.006","22.955","0.006","90","","90","","90","","5578","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C62 H57 N5 O8 P2 -","- C62 H53 N5 O8 P2 -","- C248 H212 N20 O32 P8 -","4","0.5","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.2181","0.0891","","","0.2251","0.2689","","","","","","1.004","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118485","10.994","0.002","13.654","0.002","22.642","0.003","88.1","0.003","79.105","0.003","76.97","0.003","3251.5","0.9","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H67 N9 O7 P2 -","- C69 H61 N7 O7 P2 -","- C138 H122 N14 O14 P4 -","2","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.1889","0.0642","","","0.0989","0.1255","","","","","","0.984","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118486","16.273","0.002","17.888","0.002","19.236","0.002","90","","90","","90","","5599.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H56 N6 O6 P2 -","- C64 H56 N6 O6 P2 -","- C256 H224 N24 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.1939","0.0808","","","0.1945","0.2524","","","","","","0.993","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118487","17.934","0.006","17.453","0.006","20.496","0.007","90","","106.371","0.011","90","","6155","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H62 Cl5 N5 O6 P2 -","- C68 H62 Cl5 N5 O6 P2 -","- C272 H248 Cl20 N20 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0664","0.0438","","","0.1011","0.1116","","","","","","1.036","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118488","12.8803","0.0006","22.8993","0.001","21.1979","0.0009","90","","106.586","0.001","90","","5992.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67.5 H63.5 Cl3 N5.5 O7 P2 -","- C67.5 H63.5 Cl3 N5.5 O7 P2 -","- C270 H254 Cl12 N22 O28 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0989","0.0729","","","0.1982","0.2147","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118489","16.7835","0.001","18.0758","0.001","20.0253","0.0012","90","","99.529","0.003","90","","5991.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 Cl3 N4 O6 P3 -","- C65 H64 Cl3 N4 O6 P3 -","- C260 H256 Cl12 N16 O24 P12 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71073","MoKα","","0.0755","0.0453","","","0.1104","0.1296","","","","","","1.035","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118490","12.0602","0.0011","18.0394","0.0017","7.8387","0.0007","90","","90","","90","","1705.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","YMW-VI-122","toste61","","- C21 H20 Br N O -","- C21 H20 Br N O -","- C84 H80 Br4 N4 O4 -","4","1","","Yi-Ming Wang; Jeffrey Wu; Christina Hoong; Vivek Rauniyar; F. Dean Toste","Enantioselective Halocyclization Using Reagents Tailored for Chiral Anion Phase-Transfer Catalysis","Journal of the American Chemical Society","2012","134","","12928","12931","10.1021/ja305795x","","","0.71073","MoKα","","0.0241","0.0218","","","0.0473","0.0482","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118491","20.3479","0.0011","14.1583","0.0008","17.4224","0.001","90","","90.081","0.001","90","","5019.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Selectbro","","","- C39 H67 B3 Br F12 N7 O6 -","- C39 H67 B3 Br F12 N7 O6 -","- C156 H268 B12 Br4 F48 N28 O24 -","4","1","","Yi-Ming Wang; Jeffrey Wu; Christina Hoong; Vivek Rauniyar; F. Dean Toste","Enantioselective Halocyclization Using Reagents Tailored for Chiral Anion Phase-Transfer Catalysis","Journal of the American Chemical Society","2012","134","","12928","12931","10.1021/ja305795x","","","0.71073","MoKα","","0.0756","0.0713","","","0.1855","0.1892","","","","","","1.081","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118492","23.75","0.004","49.017","0.008","13.018","0.002","90","","90","","90","","15155","4","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Me2CB7*DAA*I2.nH2O","Me2CB7*DAA*I2.nH2O","","- C52 H80 I2 N30 O25 -","- C51.992 H59.986 I0.5 N29.998 O15 -","- C415.936 H479.888 I4 N239.984 O120 -","8","1","","Brittany Vinciguerra; Liping Cao; Joe R. Cannon; Peter Y. Zavalij; Catherine Fenselau; Lyle Isaacs","Synthesis and Self-Assembly Processes of Monofunctionalized Cucurbit[7]uril","Journal of the American Chemical Society","2012","134","","13133","13140","10.1021/ja3058502","","","0.71073","MoKα","","0.089","0.0762","","","0.1708","0.1767","","","","","","1","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118493","19.293","0.003","19.293","0.003","20.838","0.003","90","","90","","120","","6717.2","1.8","100","2","100","2","","","","","","","","6","P 65","P 65","170","ZnTTFTB","","","- C41.59 H38.99 N1.9 O12.85 S4 Zn2 -","- C41.592 H38.984 N1.896 O12.848 S4 Zn2 -","- C249.552 H233.904 N11.376 O77.088 S24 Zn12 -","6","1","","Tarun C. Narayan; Tomoyo Miyakai; Shu Seki; Mircea Dincă","High Charge Mobility in a Tetrathiafulvalene-Based Microporous Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","12932","12935","10.1021/ja3059827","","","0.71073","MoKα","","0.0227","0.0216","","","0.0497","0.0503","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118494","7.61622","0.00015","12.3664","0.0003","13.3676","0.0002","75.4211","0.0017","89.7585","0.0015","75.0582","0.0018","1174.81","0.04","100","1","100","1","","","","","","","","5","P 1","P 1","1","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C50 H56 Cl2 N2 O12 -","2","2","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.71073","MoKα","","0.0678","0.0607","","","0.1717","0.1774","","","","","","1.386","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118495","8.39375","0.00013","9.36061","0.00012","21.2883","0.0004","90","","97.9774","0.0015","90","","1656.45","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 O6 S2 Si -","- C34 H40 O6 S2 Si -","- C68 H80 O12 S4 Si2 -","2","1","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.7107","MoKα","","0.054","0.0418","","","0.0812","0.0871","","","","","","1.047","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118496","10.9824","0.0004","15.9803","0.0007","18.9154","0.0008","90","","90","","90","","3319.7","0.2","100","1","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H41 Cl N2 O5 S Si -","- C33 H41 Cl N2 O5 S Si -","- C132 H164 Cl4 N8 O20 S4 Si4 -","4","1","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.71073","MoKα","","0.0305","0.0281","","","0.0707","0.0722","","","","","","1.04","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118497","30.3","0.006","57.1","0.011","38.2","0.008","90","","109.3","0.03","90","","62377","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Br_exchanged_Au102","","","- C308 H488 Au102 Br O99 S44 -","- C305.82 Au102 Br2.18 O83.64 S44 -","- C1223.28 Au408 Br8.72 O334.56 S176 -","4","0.5","","Christine L. Heinecke; Thomas W. Ni; Sami Malola; Ville Mäkinen; O. Andrea Wong; Hannu Häkkinen; Christopher J. Ackerson","Structural and Theoretical Basis for Ligand Exchange on Thiolate Monolayer Protected Gold Nanoclusters","Journal of the American Chemical Society","2012","134","","13316","13322","10.1021/ja3032339","","","0.827","Synchrotron","","0.1472","0.084","","","0.2596","0.3042","","","","","","1.08","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118498","19.8802","0.0012","6.2307","0.0004","12.7748","0.0008","90","","95.433","0.004","90","","1575.27","0.17","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H16 Br N O4 -","- C17 H16 Br N O4 -","- C68 H64 Br4 N4 O16 -","4","1","","Carolyn A. Leverett; Vikram C. Purohit; Alex G. Johnson; Rebecca L. Davis; Dean J. Tantillo; Daniel Romo","Dyotropic Rearrangements of Fused Tricyclic β-Lactones: Application to the Synthesis of (-)-Curcumanolide A and (-)-Curcumalactone","Journal of the American Chemical Society","2012","134","","13348","13356","10.1021/ja303414a","","","1.54178","CuKα","","0.0316","0.0302","","","0.074","0.0747","","","","","","1.009","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118499","7.9","0.003","6.278","0.002","26.961","0.008","90","","91.79","0.02","90","","1336.5","0.8","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Carolyn A. Leverett; Vikram C. Purohit; Alex G. Johnson; Rebecca L. Davis; Dean J. Tantillo; Daniel Romo","Dyotropic Rearrangements of Fused Tricyclic β-Lactones: Application to the Synthesis of (-)-Curcumanolide A and (-)-Curcumalactone","Journal of the American Chemical Society","2012","134","","13348","13356","10.1021/ja303414a","","","1.54178","CuKα","","0.1028","0.0818","","","0.1951","0.212","","","","","","1.019","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118500","7.886","0.003","14.398","0.003","7.076","0.003","90.58","0.02","117.22","0.02","80.58","0.02","702.9","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.0857","0.0648","","","0.1885","0.2065","","","","","","1.061","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118501","13.462","0.012","8.271","0.007","11.139","0.01","90","","110.853","0.015","90","","1159","1.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O2 S4 -","- C10 H10 O2 S4 -","- C40 H40 O8 S16 -","4","1","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71075","MoKα","","0.0602","0.0503","","","0.1114","0.1179","","","","","","1.143","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118502","7.657","0.002","13.517","0.003","7.117","0.001","99.45","0.02","102.23","0.02","74.82","0.02","690.1","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1337","0.057","","","0.1532","0.1892","","","","","","1.003","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118503","7.536","0.005","13.993","0.01","6.899","0.005","89.054","0.01","114.137","0.009","81.358","0.008","653.9","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","- C20 H20 F6 O4 P S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71073","MoKα","","0.125","0.07","","","0.1796","0.2244","","","","","","1.013","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118504","7.6568","0.0018","13.669","0.003","7.135","0.003","99.32","0.03","103.38","0.03","74.644","0.017","696.5","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1413","0.0525","","","0.1227","0.1523","","","","","","0.985","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118505","7.573","0.009","14.167","0.016","6.91","0.005","88.68","0.07","114.23","0.06","81.31","0.09","665.3","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","- C20 H20 As F6 O4 S8 -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1655","0.1314","","","0.3233","0.3646","","","","","","1.077","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118506","7.488","0.002","14.543","0.003","7.182","0.005","94.22","0.03","110.72","0.03","78.956","0.019","718","0.6","373","","373","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","- C20 H20 F6 O4 S8 Sb -","1","0.5","","Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori","Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb)","Journal of the American Chemical Society","2012","134","","13330","13340","10.1021/ja303435n","","","0.71069","MoKα","","0.1639","0.1164","","","0.2924","0.3462","","","","","","1.278","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118507","10.006","0.002","10.241","0.002","10.658","0.002","78.102","0.008","68.184","0.007","81.527","0.009","989.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Mn N3 O6 -","- C18 H11 Mn N3 O6 -","- C36 H22 Mn2 N6 O12 -","2","1","","Tomohiro Fukushima; Satoshi Horike; Hirokazu Kobayashi; Masahiko Tsujimoto; Seiji Isoda; Maw Lin Foo; Yoshiki Kubota; Masaki Takata; Susumu Kitagawa","Modular Design of Domain Assembly in Porous Coordination Polymer Crystals via Reactivity-Directed Crystallization Process","Journal of the American Chemical Society","2012","134","","13341","13347","10.1021/ja303588m","","","0.71075","MoKα","","0.0918","0.0788","","","0.2865","0.2957","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118508","19.6005","0.0008","18.3272","0.0007","16.5333","0.0006","90","","90","","90","","5939.1","0.4","303","","303","","","","","","","","","3","I m m m","-I 2 2","71","Zeolite ITQ-49","","","- Ge0.1755 O2 Si0.8245 -","- Ge0.175348 O2 Si0.824652 -","- Ge16.132 O184 Si75.868 -","92","5.75","","Manuel Hernández-Rodríguez; Jose L. Jordá; Fernando Rey; Avelino Corma","Synthesis and Structure Determination of a New Microporous Zeolite with Large Cavities Connected by Small Pores","Journal of the American Chemical Society","2012","134","","13232","13235","10.1021/ja306013k","powder diffraction","","1.5418","CuKα","","","","","","","","","5.7374","","","","","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118509","23.485","0.005","23.485","0.005","8.995","0.005","90","","90","","90","","4961","3","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C25 H24 Cl2 Cu N4 O4 -","- C25 Cl2 Cu N4 O4 -","- C100 Cl8 Cu4 N16 O16 -","4","0.5","","Akihito Shigematsu; Teppei Yamada; Hiroshi Kitagawa","Selective Separation of Water, Methanol, and Ethanol by a Porous Coordination Polymer Built with a Flexible Tetrahedral Ligand","Journal of the American Chemical Society","2012","134","","13145","13147","10.1021/ja306401j","","","0.71069","MoKα","","","0.0575","","","","0.1672","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118510","11.1241","0.0004","9.156","0.0003","17.8862","0.0006","90","","103.421","0.0015","90","","1772","0.11","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br Cl3 N O4 S -","- C12 H15 Br Cl3 N O4 S -","- C48 H60 Br4 Cl12 N4 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0263","0.0252","","","0.0669","0.0679","","","","","","1.049","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118511","18.4231","0.0005","9.1321","0.0003","10.0716","0.0003","90","","90","","90","","1694.46","0.09","123","1","123","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H15 Cl3 N2 O4 S -","- C14 H15 Cl3 N2 O4 S -","- C56 H60 Cl12 N8 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0154","0.0154","","","0.0412","0.0412","","","","","","1.073","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118512","6.0092","0.0002","10.834","0.0003","14.5195","0.0004","88.5906","0.0014","78.7501","0.0011","80.8585","0.0012","915.31","0.05","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl3 N O6 S -","- C15 H18 Cl3 N O6 S -","- C30 H36 Cl6 N2 O12 S2 -","2","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0305","0.0268","","","0.0686","0.0725","","","","","","1.02","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118513","10.2165","0.0003","18.274","0.0006","10.12","0.0003","90","","111.332","0.0012","90","","1759.92","0.09","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl3 N2 O4 S -","- C14 H15 Cl3 N2 O4 S -","- C56 H60 Cl12 N8 O16 S4 -","4","1","","Anike Nörder; Sarah A. Warren; Eberhardt Herdtweck; Stefan M. Huber; Thorsten Bach","Diastereotopos-Differentiation in the Rh-Catalyzed Amination of Benzylic Methylene Groups in the α-Position to a Stereogenic Center","Journal of the American Chemical Society","2012","134","","13524","13531","10.1021/ja3066682","","","0.71073","MoKα","","0.0265","0.0254","","","0.0693","0.0702","","","","","","1.076","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118514","7.6787","0.0002","16.934","0.0004","18.3591","0.0004","90","","92.984","0.002","90","","2384.02","0.1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N5 S2 -","- C28 H19 N5 S2 -","- C112 H76 N20 S8 -","4","1","","Yi-Hong Chen; Li-Yen Lin; Chih-Wei Lu; Francis Lin; Zheng-Yu Huang; Hao-Wu Lin; Po-Han Wang; Yi-Hung Liu; Ken-Tsung Wong; Jianguo Wen; Dean J. Miller; Seth B. Darling","Vacuum-Deposited Small-Molecule Organic Solar Cells with High Power Conversion Efficiencies by Judicious Molecular Design and Device Optimization","Journal of the American Chemical Society","2012","134","","13616","13623","10.1021/ja301872s","","","1.54178","CuKα","","0.0473","0.0429","","","0.1272","0.1351","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118515","8.9955","0.0004","13.0986","0.0006","20.8888","0.0009","90","","93.997","0.004","90","","2455.31","0.19","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N5 S -","- C30 H21 N5 S -","- C120 H84 N20 S4 -","4","1","","Yi-Hong Chen; Li-Yen Lin; Chih-Wei Lu; Francis Lin; Zheng-Yu Huang; Hao-Wu Lin; Po-Han Wang; Yi-Hung Liu; Ken-Tsung Wong; Jianguo Wen; Dean J. Miller; Seth B. Darling","Vacuum-Deposited Small-Molecule Organic Solar Cells with High Power Conversion Efficiencies by Judicious Molecular Design and Device Optimization","Journal of the American Chemical Society","2012","134","","13616","13623","10.1021/ja301872s","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118516","11.749","0.003","23.17","0.005","27.499","0.005","90","","90","","90","","7486","3","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Cl2 Fe N3 O2 -","- C36 H34 Cl2 Fe N3 O2 -","- C288 H272 Cl16 Fe8 N24 O16 -","8","2","","Takashi Niwa; Masahisa Nakada","A Non-Heme Iron(III) Complex with Porphyrin-like Properties That Catalyzes Asymmetric Epoxidation","Journal of the American Chemical Society","2012","134","","13538","13541","10.1021/ja304219s","","","0.71075","MoKα","","","0.0766","","","","0.2484","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118517","7.0393","0.0003","10.7218","0.0004","17.8586","0.0007","90","","90","","90","","1347.86","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C56 H52 Br4 O16 -","4","1","","David M. Rubush; Michelle A. Morges; Barbara J. Rose; Douglas H. Thamm; Tomislav Rovis","An Asymmetric Synthesis of 1,2,4-Trioxane Anticancer Agents via Desymmetrization of Peroxyquinols through a Brønsted Acid Catalysis Cascade","Journal of the American Chemical Society","2012","134","","13554","13557","10.1021/ja3052427","","","0.71073","MoKα","","0.0493","0.0318","","","0.0548","0.0709","","","","","","1.096","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118518","8.9883","0.0008","13.3229","0.0012","21.141","0.002","89.603","0.002","88.668","0.002","85.344","0.002","2522.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C67 H68 O4 -","- C67 H68 O4 -","- C134 H136 O8 -","2","1","","Jiye Luo; Xiaomin Xu; Renxin Mao; Qian Miao","Curved Polycyclic Aromatic Molecules That Are π-Isoelectronic to Hexabenzocoronene","Journal of the American Chemical Society","2012","134","","13796","13803","10.1021/ja3054354","","","0.71073","MoKα","","0.1183","0.078","","","0.2058","0.2416","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118519","9.1951","0.0015","12.2939","0.0019","30.429","0.005","90","","98.886","0.003","90","","3398.5","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Cl2 O4 -","- C47 H32 Cl2 O4 -","- C188 H128 Cl8 O16 -","4","1","","Jiye Luo; Xiaomin Xu; Renxin Mao; Qian Miao","Curved Polycyclic Aromatic Molecules That Are π-Isoelectronic to Hexabenzocoronene","Journal of the American Chemical Society","2012","134","","13796","13803","10.1021/ja3054354","","","0.71073","MoKα","","0.2733","0.1001","","","0.2224","0.3112","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118520","10.497","0.003","18.26","0.004","17.011","0.004","90","","107.278","0.003","90","","3113.5","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H104 Ni2 O4 P4 -","- C63 H103 Ni2 O4 P4 -","- C126 H206 Ni4 O8 P8 -","2","0.5","","Kazuma Amaike; Kei Muto; Junichiro Yamaguchi; Kenichiro Itami","Decarbonylative C-H Coupling of Azoles and Aryl Esters: Unprecedented Nickel Catalysis and Application to the Synthesis of Muscoride A","Journal of the American Chemical Society","2012","134","","13573","13576","10.1021/ja306062c","","","0.7107","MoKα","","0.081","0.0672","","","0.1448","0.1539","","","","","","1.138","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118521","9.5549","0.0006","5.8171","0.0004","15.2998","0.001","90","","90","","90","","850.39","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H4 N2 S -","- C3 H4 N2 S -","- C24 H32 N16 S8 -","8","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0255","0.0222","","","0.0586","0.061","","","","","","1.064","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118522","16.434","0.005","11.857","0.003","4.9575","0.0014","90","","90","","90","","966","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H10 N6 O S -","- C8 H10 N6 O S -","- C32 H40 N24 O4 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0382","0.0304","","","0.0704","0.0738","","","","","","1.037","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118523","7.6821","0.0017","7.8451","0.0018","9.734","0.002","74.717","0.003","85.85","0.003","89.369","0.003","564.4","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C18 H24 N12 O2 S2 -","2","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","","","","","","","","","","","","","","","","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118524","8.747","0.0011","13.4408","0.0017","9.6495","0.0012","90","","91.723","0.002","90","","1133.9","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 N6 O S -","- C9 H12 N6 O S -","- C36 H48 N24 O4 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","","","","","","","","","","","","","","","","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118525","8.8428","0.0016","17.383","0.003","16.123","0.003","90","","90.286","0.003","90","","2478.3","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N6 O S -","- C10 H14 N6 O S -","- C80 H112 N48 O8 S8 -","8","2","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","","","","","","","","","","","","","","","","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118526","7.6821","0.0002","23.6828","0.0006","9.2228","0.0002","90","","104.395","0.002","90","","1625.26","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H19.67 Cl N6 O3.33 S -","- C11 H19.6667 Cl N6 O3.33333 S -","- C44 H78.6666 Cl4 N24 O13.3333 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0342","0.0274","","","0.068","0.0714","","","","","","1.06","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118527","8.0766","0.0006","8.8227","0.0007","32.654","0.003","90","","90","","90","","2326.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N6 O2.5 S -","- C9 H13 N6 O2.5 S -","- C72 H104 N48 O20 S8 -","8","2","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.03","0.0278","","","0.0683","0.0698","","","","","","1.039","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118528","8.404","0.0009","13.9418","0.0016","11.3521","0.0013","90","","109.896","0.001","90","","1250.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N6 O3 S -","- C9 H14 N6 O3 S -","- C36 H56 N24 O12 S4 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0316","0.0293","","","0.0787","0.0809","","","","","","1.042","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118529","9.732","0.003","15.359","0.004","17.336","0.004","90","","93.691","0.004","90","","2585.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N12 O7 S2 -","- C20 H30 N12 O7 S2 -","- C80 H120 N48 O28 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0879","0.0464","","","0.091","0.1062","","","","","","1.042","","","","has coordinates,has disorder","210883","2020-10-21","18:00:00",""
"4118530","8.7","0.0003","20.0767","0.0008","23.68","0.001","97.662","0.002","91.72","0.002","90.016","0.002","4097.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N6 O4 S -","- C10 H16 N6 O4 S -","- C120 H192 N72 O48 S12 -","12","6","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0692","0.0541","","","0.1501","0.1587","","","","","","1.062","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118531","4.9633","0.0009","10.4159","0.0019","19.941","0.004","90","","93.481","0.003","90","","1029","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N4 O S2 -","- C8 H10 N4 O S2 -","- C32 H40 N16 O4 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0398","0.0295","","","0.0691","0.074","","","","","","1.042","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118532","6.9855","0.0002","9.2101","0.0003","18.4318","0.0006","90","","90","","90","","1185.85","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N4 O2 S2 -","- C9 H12 N4 O2 S2 -","- C36 H48 N16 O8 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0232","0.0222","","","0.0574","0.0582","","","","","","1.041","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118533","29.688","0.005","29.688","0.005","30.488","0.005","90","0.005","90","0.005","120","0.005","23271","7","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- H97 K Na2 Nb24 O110 -","- K Na2.00667 Nb24 O82 -","- K6 Na12.04 Nb144 O492 -","6","0.5","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.06","0.0435","","","0.1223","0.1289","","","","","","1.093","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118534","12.844","0.005","17.578","0.005","19.973","0.005","84.513","0.005","73.271","0.005","81.818","0.005","4267","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H188 K2 Na2 Nb32 O176 -","- K2 Na2 Nb32 O116 -","- K2 Na2 Nb32 O116 -","1","0.5","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.0768","0.048","","","0.1147","0.1268","","","","","","0.891","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118535","39.2527","0.0014","39.2527","0.0014","106.905","0.007","90","","90","","120","","142649","12","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- H298 K12 Nb96 O395 -","- K12.02 Nb96 O300 -","- K144.24 Nb1152 O3600 -","12","0.666667","","Peng Huang; Chao Qin; Zhong-Min Su; Yan Xing; Xin-Long Wang; Kui-Zhan Shao; Ya-Qian Lan; En-Bo Wang","Self-Assembly and Photocatalytic Properties of Polyoxoniobates: {Nb24O72}, {Nb32O96}, and {K12Nb96O288} Clusters","Journal of the American Chemical Society","2012","134","","14004","14010","10.1021/ja303723u","","","0.71073","MoKα","","0.132","0.056","","","0.0921","0.0999","","","","","","1.035","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118536","12.5173","0.0002","19.315","0.0005","16.6447","0.0004","90","","109.649","0.0018","90","","3789.89","0.15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H61 Cl0.5 I P2 Pt -","- C38 H61 Cl0.5 I P2 Pt -","- C152 H244 Cl2 I4 P8 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.0641","0.0456","","","0.0951","0.1027","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118537","16.286","0.0003","8.9776","0.0002","24.3315","0.0007","90","","94.1696","0.0008","90","","3548.07","0.14","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 Cl2 F3 I P2 Pt -","- C33 H52 Cl2 F3 I P2 Pt -","- C132 H208 Cl8 F12 I4 P8 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.056","0.046","","","0.0872","0.0905","","","","","","1.139","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118538","14.8107","0.0003","20.4279","0.0003","22.5012","0.0005","90","","90","","90","","6807.8","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F6 P2 Pt -","- C32 H48 F6 P2 Pt -","- C256 H384 F48 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.091","0.0507","","","0.0985","0.1099","","","","","","0.982","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118539","16.2512","0.0002","17.3402","0.0002","23.8768","0.0003","90","","90","","90","","6728.46","0.14","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F5 I P2 Pt -","- C32 H48 F5 I P2 Pt -","- C256 H384 F40 I8 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.0466","0.0334","","","0.0772","0.0825","","","","","","1.074","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118540","13.319","0.003","4.0703","0.0008","15.179","0.003","90","","115.49","0.03","90","","742.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Manganese Dibismuth Selenide (1/2/4)","","- Bi2 Mn Se4 -","- Bi2.0002 Mn0.9998 Se4 -","- Bi8.0008 Mn3.9992 Se16 -","4","0.5","","Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu","Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions","Journal of the American Chemical Society","2012","134","","14033","14042","10.1021/ja303952w","","","0.71073","MoKα","","0.0392","0.0311","","","0.0712","0.0733","","","","","","1.104","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118541","13.384","0.003","4.0925","0.0008","15.224","0.003","90","","115.54","0.03","90","","752.4","0.3","298","2","298","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Manganese Dibismuth Selenide (1/2/4)","","- Bi4 Mn2 Se8 -","- Bi4 Mn2 Se8 -","- Bi8 Mn4 Se16 -","2","0.25","","Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu","Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions","Journal of the American Chemical Society","2012","134","","14033","14042","10.1021/ja303952w","","","0.71073","MoKα","","0.0312","0.0252","","","0.0576","0.0597","","","","","","1.115","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118542","13.493","0.006","4.126","0.0018","15.322","0.007","90","","115.52","0.008","90","","769.8","0.6","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Manganese Tin Bismuth Selenide (1/3/8/16)","","- Bi8 Mn Se16 Sn3 -","- Bi8 Mn1.04 Se16 Sn2.96 -","- Bi8 Mn1.04 Se16 Sn2.96 -","1","0.125","","Kulugammana G. S. Ranmohotti; Honore Djieutedjeu; Pierre F. P. Poudeu","Chemical Manipulation of Magnetic Ordering in Mn1-xSnxBi2Se4 Solid-Solutions","Journal of the American Chemical Society","2012","134","","14033","14042","10.1021/ja303952w","","","0.71073","MoKα","","0.0499","0.0497","","","0.1044","0.1045","","","","","","1.356","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118543","12.0233","0.0011","12.6775","0.0012","35.975","0.004","90","","90","","90","","5483.5","0.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","RG3009","","","- C36 H52 F12 N2 O10 Pd3 -","- C36 H52 F12 N2 O10 Pd3 -","- C144 H208 F48 N8 O40 Pd12 -","4","1","","Ramesh Giri; Yu Lan; Peng Liu; K. N. Houk; Jin-Quan Yu","Understanding Reactivity and Stereoselectivity in Palladium-Catalyzed Diastereoselective sp3 C-H Bond Activation: Intermediate Characterization and Computational Studies","Journal of the American Chemical Society","2012","134","","14118","14126","10.1021/ja304643e","","","0.71073","MoKα","","0.0791","0.053","","","0.1517","0.1687","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118544","8.136","0.002","11.03","0.003","17.118","0.004","103.888","0.003","90.285","0.003","101.735","0.003","1457.8","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 B N2 O2 Pt -","- C33 H37 B N2 O2 Pt -","- C66 H74 B2 N4 O4 Pt2 -","2","1","","Zachary M. Hudson; Christina Sun; Michael G. Helander; Yi-Lu Chang; Zheng-Hong Lu; Suning Wang","Highly Efficient Blue Phosphorescence from Triarylboron-Functionalized Platinum(II) Complexes of N-Heterocyclic Carbenes","Journal of the American Chemical Society","2012","134","","13930","13933","10.1021/ja3048656","","","0.71073","MoKα","","0.0322","0.0272","","","0.0628","0.0653","","","","","","1.022","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118545","17.45","0.003","12.563","0.002","13.497","0.002","90","","97.853","0.003","90","","2931.1","0.8","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 B N2 O2 Pt -","- C33 H37 B N2 O2 Pt -","- C132 H148 B4 N8 O8 Pt4 -","4","1","","Zachary M. Hudson; Christina Sun; Michael G. Helander; Yi-Lu Chang; Zheng-Hong Lu; Suning Wang","Highly Efficient Blue Phosphorescence from Triarylboron-Functionalized Platinum(II) Complexes of N-Heterocyclic Carbenes","Journal of the American Chemical Society","2012","134","","13930","13933","10.1021/ja3048656","","","0.71073","MoKα","","0.175","0.0593","","","0.072","0.1","","","","","","0.938","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118546","25.3373","0.0011","14.8267","0.0011","20.4311","0.0011","90","","97.05","0.002","90","","7617.3","0.8","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C82.NiOEP.2toluene 0.6667/0.3333 C3v(7)/Cs(6)","","","- C132 H60 N4 Ni Sm -","- C132 H60 N4 Ni Sm0.9 -","- C528 H240 N16 Ni4 Sm3.6 -","4","0.5","","Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82","Journal of the American Chemical Society","2012","134","","14127","14136","10.1021/ja304867j","","","0.71073","MoKα","","0.0836","0.069","","","0.1607","0.1688","","","","","","1.1","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118547","25.3364","0.0004","15.0718","0.0002","19.7948","0.0003","90","","94.208","0.004","90","","7538.6","0.2","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C2(5)-C82.Ni(OEP).2benzene","","","- C130 H56 N4 Ni Sm -","- C130.09 H56 N4 Ni Sm -","- C520.36 H224 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82","Journal of the American Chemical Society","2012","134","","14127","14136","10.1021/ja304867j","","","0.71073","MoKα","","0.0821","0.0678","","","0.1875","0.2036","","","","","","1.032","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118548","25.2726","0.0008","14.9311","0.0005","20.3162","0.0006","90","","96.892","0.002","90","","7610.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Sm@C3v(7)C82.NiOEP.2toluene","","","- C132 H60 N4 Ni Sm -","- C132 H60 N4 Ni Sm -","- C528 H240 N16 Ni4 Sm4 -","4","0.5","","Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82","Journal of the American Chemical Society","2012","134","","14127","14136","10.1021/ja304867j","","","0.7749","synchrotron","","0.0573","0.0495","","","0.1226","0.1276","","","","","","1.041","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118549","11.0129","0.0007","11.173","0.0007","16.7699","0.001","77.832","0.003","79.183","0.003","61.185","0.002","1758.42","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[SiP3]Co(H2)","","","- C36 H54 Co P3 Si -","- C36 H54 Co P3 Si -","- C72 H108 Co2 P6 Si2 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0548","0.035","","","0.0902","0.0983","","","","","","1.022","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118550","10.894","0.0003","11.4465","0.0003","16.0319","0.0005","91.218","0.001","95.168","0.001","118.102","0.001","1751.68","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TPB)Co(N2)","","","- C36 H54 B Co N2 P3 -","- C36 H54 B Co N2 P3 -","- C72 H108 B2 Co2 N4 P6 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0573","0.0417","","","0.1034","0.1138","","","","","","1.109","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118551","10.8535","0.0005","11.216","0.0005","16.7367","0.0008","91.474","0.002","101.653","0.002","118.93","0.002","1728.21","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(TPB)Co(H2)","","","- C36 H54 B Co P3 -","- C36 H54 B Co P3 -","- C72 H108 B2 Co2 P6 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0486","0.0328","","","0.086","0.0932","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118552","10.8175","0.0006","11.5615","0.0007","15.9277","0.0009","91.488","0.003","97.701","0.003","117.196","0.002","1747.2","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TPB)CoBr","","","- C36 H54 B Br Co P3 -","- C36 H54 B Br Co P3 -","- C72 H108 B2 Br2 Co2 P6 -","2","1","","Daniel L. M. Suess; Charlene Tsay; Jonas C. Peters","Dihydrogen Binding to Isostructural S=1/2 and S= 0 Cobalt Complexes","Journal of the American Chemical Society","2012","134","","14158","14164","10.1021/ja305248f","","","0.71073","MoKα","","0.0545","0.0321","","","0.0718","0.0796","","","","","","1.012","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118553","7.133","0.005","15.809","0.005","9.126","0.005","90","0.005","101.666","0.005","90","0.005","1007.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N O4 -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic Intermolecular C-Alkylation of 1,2-Diketones with Simple Olefins: A Recyclable Directing Group Strategy","Journal of the American Chemical Society","2012","134","","13954","13957","10.1021/ja306123m","","","0.71069","MoKα","","0.0883","0.0544","","","0.1141","0.1284","","","","","","1.084","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118554","6.6812","0.0008","9.6029","0.0014","18.372","0.002","90","","96.333","0.003","90","","1171.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","2","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic Intermolecular C-Alkylation of 1,2-Diketones with Simple Olefins: A Recyclable Directing Group Strategy","Journal of the American Chemical Society","2012","134","","13954","13957","10.1021/ja306123m","","","0.71075","MoKα","","0.0348","0.0332","","","0.0928","0.0941","","","","","","1.105","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118555","13.142","0.0003","14.228","0.0003","14.63","0.0003","76.398","0.001","79.756","0.001","64.152","0.001","2383.96","0.09","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H104 B4 O12 -","- C112 H104 B4 O12 -","- C112 H104 B4 O12 -","1","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.1091","0.0867","","","0.2301","0.2575","","","","","","0.97","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118556","13.8499","0.0003","13.8499","0.0003","40.504","0.0007","90","","90","","90","","7769.5","0.3","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C88 H80 B4 O12 -","- C88 H80 B4 O12 -","- C352 H320 B16 O48 -","4","0.5","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.0978","0.0852","","","0.2338","0.2564","","","","","","1.096","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118557","13.9058","0.0006","13.9058","0.0006","41.035","0.002","90","","90","","90","","7935","0.6","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C90 H100 B4 O12 -","- C90 H100 B4 O12 -","- C360 H400 B16 O48 -","4","0.5","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.0696","0.0661","","","0.1949","0.2009","","","","","","1.038","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118558","11.5412","0.0002","12.9559","0.0002","14.5534","0.0003","79.051","0.001","87.26","0.001","83.109","0.001","2120.38","0.07","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C82 H76 B4 Cl12 O12 -","- C82 H76 B4 Cl12 O12 -","- C82 H76 B4 Cl12 O12 -","1","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.1265","0.1075","","","0.3012","0.3359","","","","","","1.157","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118559","12.97","0.004","13.166","0.004","13.637","0.004","64.874","0.004","79.21","0.004","88.593","0.005","2067.1","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 B2 Cl6 O6 -","- C40 H36 B2 Cl6 O6 -","- C80 H72 B4 Cl12 O12 -","2","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","0.71075","MoKα","","0.1329","0.0702","","","0.2067","0.2584","","","","","","1.127","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118560","14.3811","0.0003","16.3836","0.0003","16.3956","0.0003","98.414","0.001","112.011","0.001","93.432","0.001","3515.1","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H69 B4 Cl3 O12 -","- C77 H69 B4 Cl3 O12 -","- C154 H138 B8 Cl6 O24 -","2","1","","Suguru Ito; Kosuke Ono; Nobuharu Iwasawa","Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units","Journal of the American Chemical Society","2012","134","","13962","13965","10.1021/ja306249f","","x-ray","1.54186","CuKα","","0.2595","0.1093","","","0.281","0.3968","","","","","","0.968","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118561","8.6294","0.0002","18.2879","0.0005","25.7845","0.0006","90","","90","","90","","4069.14","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N P -","- C28 H20 N P -","- C224 H160 N8 P8 -","8","1","","Alexandra Velian; Christopher C. Cummins","Facile Synthesis of Dibenzo-7λ3-phosphanorbornadiene Derivatives Using Magnesium Anthracene","Journal of the American Chemical Society","2012","134","","13978","13981","10.1021/ja306902j","","","1.54178","CuKα","","0.0381","0.0338","","","0.0853","0.0885","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118562","31.878","0.0016","8.3988","0.0004","15.537","0.0007","90","","102.369","0.002","90","","4063.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N P Si2 -","- C20 H28 N P Si2 -","- C160 H224 N8 P8 Si16 -","8","1","","Alexandra Velian; Christopher C. Cummins","Facile Synthesis of Dibenzo-7λ3-phosphanorbornadiene Derivatives Using Magnesium Anthracene","Journal of the American Chemical Society","2012","134","","13978","13981","10.1021/ja306902j","","","1.54178","CuKα","","0.03","0.0285","","","0.0778","0.0792","","","","","","1.048","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118563","20.1357","0.0005","6.9934","0.0002","14.0398","0.0005","90","","90","","90","","1977.04","0.1","150","","150","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ge16 K14 Zn -","- Ge16 K14 Zn -","- Ge32 K28 Zn2 -","2","0.5","","Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler","Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters","Journal of the American Chemical Society","2012","134","","14450","14460","10.1021/ja304251t","","x-ray","0.71073","MoKα","","0.0168","0.0138","","","0.0186","0.0189","","","","","","0.97","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118564","20.8718","0.0006","7.2103","0.0002","14.4434","0.0004","90","","90","","90","","2173.62","0.11","150","","150","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ge16 Rb14 Zn -","- Ge16 Rb14 Zn -","- Ge32 Rb28 Zn2 -","2","0.5","","Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler","Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters","Journal of the American Chemical Society","2012","134","","14450","14460","10.1021/ja304251t","","x-ray","0.71073","MoKα","","0.013","0.0119","","","0.0227","0.0229","","","","","","1.031","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118565","13.5093","0.0006","15.8892","0.0007","17.7605","0.0008","98.23","0.004","111.166","0.004","107.105","0.004","3262.2","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H92.5 Cu2 Ge4 K4 N7.5 O12 -","- C42 H70 Cu2 Ge4 K4 N7.5 O12 -","- C84 H140 Cu4 Ge8 K8 N15 O24 -","2","1","","Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler","Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters","Journal of the American Chemical Society","2012","134","","14450","14460","10.1021/ja304251t","","","0.71073","MoKα","","0.0861","0.0453","","","0.0998","0.1079","","","","","","0.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118566","11.7349","0.0019","15.925","0.003","19.034","0.003","99.153","0.004","103.775","0.004","105.18","0.003","3239.8","1","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C36.5 H37 Cl3 -","- C36.5 H37 Cl3 -","- C146 H148 Cl12 -","4","2","","Zebing Zeng; Young Mo Sung; Nina Bao; Davin Tan; Richmond Lee; José L. Zafra; Byung Sun Lee; Masatoshi Ishida; Jun Ding; Juan T. López Navarrete; Yuan Li; Wangdong Zeng; Dongho Kim; Kuo-Wei Huang; Richard D. Webster; Juan Casado; Jishan Wu","Stable Tetrabenzo-Chichibabin's Hydrocarbons: Tunable Ground State and Unusual Transition between Their Closed-Shell and Open-Shell Resonance Forms","Journal of the American Chemical Society","2012","134","","14513","14525","10.1021/ja3050579","","","0.71073","MoKα","","0.1688","0.1258","","","0.3284","0.3605","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118567","12.2925","0.0012","13.3514","0.0012","15.382","0.0014","93.191","0.002","103.43","0.002","114.838","0.002","2194.5","0.4","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H44 Sn3 -","- C52 H44 Sn3 -","- C104 H88 Sn6 -","2","1","","Zebing Zeng; Young Mo Sung; Nina Bao; Davin Tan; Richmond Lee; José L. Zafra; Byung Sun Lee; Masatoshi Ishida; Jun Ding; Juan T. López Navarrete; Yuan Li; Wangdong Zeng; Dongho Kim; Kuo-Wei Huang; Richard D. Webster; Juan Casado; Jishan Wu","Stable Tetrabenzo-Chichibabin's Hydrocarbons: Tunable Ground State and Unusual Transition between Their Closed-Shell and Open-Shell Resonance Forms","Journal of the American Chemical Society","2012","134","","14513","14525","10.1021/ja3050579","","","0.71073","MoKα","","0.0355","0.0306","","","0.0724","0.0746","","","","","","1.03","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118568","9.174","0.0005","11.6435","0.0007","14.04","0.0008","97.747","0.001","90.571","0.001","110.556","0.001","1388.76","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 D3 N O3 -","- C40 H27 N O3 -","- C80 H54 N2 O6 -","2","1","","Chen Zhao; Robert M. Parrish; Mark D. Smith; Perry J. Pellechia; C. David Sherrill; Ken D. Shimizu","Do Deuteriums Form Stronger CH-π Interactions?","Journal of the American Chemical Society","2012","134","","14306","14309","10.1021/ja305788p","","","0.71073","MoKα","","0.0516","0.0422","","","0.1108","0.1163","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118569","11.9615","0.0005","27.1593","0.0012","22.5319","0.001","90","","100.653","0.001","90","","7193.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C95 H72 N4 O9 -","- C95 H72 N4 O9 -","- C380 H288 N16 O36 -","4","1","","Chen Zhao; Robert M. Parrish; Mark D. Smith; Perry J. Pellechia; C. David Sherrill; Ken D. Shimizu","Do Deuteriums Form Stronger CH-π Interactions?","Journal of the American Chemical Society","2012","134","","14306","14309","10.1021/ja305788p","","","0.71073","MoKα","","0.0506","0.0404","","","0.0904","0.0963","","","","","","1.04","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118570","9.1805","0.0005","11.6505","0.0007","14.0879","0.0008","97.99","0.001","90.37","0.001","110.481","0.001","1395.39","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 N O3 -","- C40 H27 N O3 -","- C80 H54 N2 O6 -","2","1","","Chen Zhao; Robert M. Parrish; Mark D. Smith; Perry J. Pellechia; C. David Sherrill; Ken D. Shimizu","Do Deuteriums Form Stronger CH-π Interactions?","Journal of the American Chemical Society","2012","134","","14306","14309","10.1021/ja305788p","","","0.71073","MoKα","","0.0506","0.0452","","","0.113","0.117","","","","","","1.053","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118571","11.6211","0.0005","25.3321","0.0012","8.6027","0.0004","90","","103.675","0.0018","90","","2460.7","0.2","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl3 N3 Pd -","- C28 H24 Cl3 N3 Pd -","- C112 H96 Cl12 N12 Pd4 -","4","1","","Lei Jiao; Eberhardt Herdtweck; Thorsten Bach","Pd(II)-Catalyzed Regioselective 2-Alkylation of Indoles via a Norbornene-Mediated C-H Activation: Mechanism and Applications","Journal of the American Chemical Society","2012","134","","14563","14572","10.1021/ja3058138","","","0.71073","MoKα","","0.0176","0.0171","","","0.0432","0.0435","","","","","","1.085","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118572","21.5869","0.0006","14.9231","0.0004","39.6876","0.0012","90","","90.478","0.002","90","","12784.7","0.6","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C71 H98.12 Ge2 -","- C71 H98.12 Ge2 -","- C568 H784.96 Ge16 -","8","1","","Owen T. Summerscales; Christine A. Caputo; Caroline E. Knapp; James C. Fettinger; Philip P. Power","The Role of Group 14 Element Hydrides in the Activation of C-H Bonds in Cyclic Olefins","Journal of the American Chemical Society","2012","134","","14595","14603","10.1021/ja305853d","","","1.54178","CuKα","","0.0521","0.0486","","","0.1342","0.1368","","","","","","1.054","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118573","20.5795","0.0016","13.4167","0.001","22.7242","0.0017","90","","109.826","0.002","90","","5902.5","0.8","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C69.5 H92 Ge2 -","- C69.5 H92 Ge2 -","- C278 H368 Ge8 -","4","1","","Owen T. Summerscales; Christine A. Caputo; Caroline E. Knapp; James C. Fettinger; Philip P. Power","The Role of Group 14 Element Hydrides in the Activation of C-H Bonds in Cyclic Olefins","Journal of the American Chemical Society","2012","134","","14595","14603","10.1021/ja305853d","","","1.54178","CuKα","","0.0283","0.0282","","","0.0737","0.0738","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118574","5.2815","0.0002","14.9489","0.0004","8.7463","0.0003","90","","91.692","0.002","90","","690.24","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O3 S -","- C4 H11 N O3 S -","- C16 H44 N4 O12 S4 -","4","1","","Xianqi Kong; Luke A. O'Dell; Victor Terskikh; Eric Ye; Ruiyao Wang; Gang Wu","Variable-Temperature 17O NMR Studies Allow Quantitative Evaluation of Molecular Dynamics in Organic Solids","Journal of the American Chemical Society","2012","134","","14609","14617","10.1021/ja306227p","","","0.71073","MoKα","","0.0375","0.0306","","","0.0789","0.0832","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118575","23.443","0.005","12.578","0.003","18.292","0.004","90","","116.908","0.003","90","","4809.7","1.9","163","2","163","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C47 H58 B Cu N2 O2 -","- C47 H58 B Cu N2 O2 -","- C188 H232 B4 Cu4 N8 O8 -","4","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.0462","0.0411","","","0.0872","0.0895","","","","","","0.984","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118576","10.384","0.002","24.651","0.006","18.961","0.004","90","","97.555","0.004","90","","4811.4","1.8","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 B Cu N2 O4 -","- C48 H58 B Cu N2 O4 -","- C192 H232 B4 Cu4 N8 O16 -","4","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.0673","0.0463","","","0.1028","0.1097","","","","","","1.03","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118577","13.943","0.007","20.195","0.01","10.094","0.005","90","","99.507","0.011","90","","2803","2","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 B2 Li2 O12 -","- C58 H76 B2 Li2 O12 -","- C116 H152 B4 Li4 O24 -","2","0.5","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.1442","0.0779","","","0.1989","0.2427","","","","","","1.043","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118578","47.51","0.007","17.784","0.003","19.386","0.003","90","","92.437","0.003","90","","16365","4","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H104 B4 Li4 O20 -","- C76 H104 B4 Li4 O20 -","- C608 H832 B32 Li32 O160 -","8","1","","Liang Zhang; Jianhua Cheng; Béatrice Carry; Zhaomin Hou","Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst","Journal of the American Chemical Society","2012","134","","14314","14317","10.1021/ja3063474","","","0.71073","MoKα","","0.1608","0.0762","","","0.1534","0.1742","","","","","","1.098","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118579","24.428","0.004","27.216","0.004","12.0685","0.0018","90","","90","","90","","8024","2","100","2","100","2","","","","","","","synthesis as described","5","C 2 2 2","C 2 2","21","","","","- C36 H37 Au Cl N3 -","- C36 H37 Au Cl N3 -","- C288 H296 Au8 Cl8 N24 -","8","1","","Javier Francos; Francisca Grande-Carmona; Hélio Faustino; Javier Iglesias-Sigüenza; Elena Díez; Isaac Alonso; Rosario Fernández; José M. Lassaletta; Fernando López; José L. Mascareñas","Axially Chiral Triazoloisoquinolin-3-ylidene Ligands in Gold(I)-Catalyzed Asymmetric Intermolecular (4 + 2) Cycloadditions of Allenamides and Dienes","Journal of the American Chemical Society","2012","134","","14322","14325","10.1021/ja3065446","","x-ray","0.7107","MoKα","","0.0385","0.0324","","","0.0669","0.069","","","","","","1.055","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118580","6.4097","0.0011","8.1406","0.0013","27.146","0.004","90","","90","","90","","1416.4","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Javier Francos; Francisca Grande-Carmona; Hélio Faustino; Javier Iglesias-Sigüenza; Elena Díez; Isaac Alonso; Rosario Fernández; José M. Lassaletta; Fernando López; José L. Mascareñas","Axially Chiral Triazoloisoquinolin-3-ylidene Ligands in Gold(I)-Catalyzed Asymmetric Intermolecular (4 + 2) Cycloadditions of Allenamides and Dienes","Journal of the American Chemical Society","2012","134","","14322","14325","10.1021/ja3065446","","x-ray","0.7107","MoKα","","0.0311","0.0249","","","0.0512","0.0535","","","","","","1.008","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118581","5.76968","0.00013","12.3217","0.0003","26.6953","0.0006","90","","90","","90","","1897.83","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 I N O2 -","- C18 H16 Br2 I N O2 -","- C72 H64 Br8 I4 N4 O8 -","4","1","","Fengtao Zhou; Jiajia Guo; Jianguang Liu; Ke Ding; Shouyun Yu; Qian Cai","Copper-Catalyzed Desymmetric Intramolecular Ullmann C-N Coupling: An Enantioselective Preparation of Indolines","Journal of the American Chemical Society","2012","134","","14326","14329","10.1021/ja306631z","","","1.54184","CuKα","","0.0695","0.0682","","","0.1542","0.1567","","","","","","1.123","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118582","19.92","0.0006","21.47","0.0008","8.248","0.0003","90","","107.608","0.0019","90","","3362.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","","- C24 H26 Ba O12 P4 -","- C24 H26 Ba O12 P4 -","- C96 H104 Ba4 O48 P16 -","4","0.5","","Jared M. Taylor; Ramanathan Vaidhyanathan; Simon S. Iremonger; George K. H. Shimizu","Enhancing Water Stability of Metal-Organic Frameworks via Phosphonate Monoester Linkers","Journal of the American Chemical Society","2012","134","","14338","14340","10.1021/ja306812r","","","0.71073","MoKα","","0.0438","0.0393","","","0.1039","0.1143","","","","","","1.173","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118583","20.18","0.002","21.212","0.002","8.3079","0.0008","90","","107.612","0.006","90","","3389.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","Barium 1,3,6,8-Pyrenetetrakisphosphonatemonoethylester","","- C24 H26 Ba O12 P4 -","- C24 H26 Ba O12 P4 -","- C96 H104 Ba4 O48 P16 -","4","0.5","","Jared M. Taylor; Ramanathan Vaidhyanathan; Simon S. Iremonger; George K. H. Shimizu","Enhancing Water Stability of Metal-Organic Frameworks via Phosphonate Monoester Linkers","Journal of the American Chemical Society","2012","134","","14338","14340","10.1021/ja306812r","","","1.54178","CuKα","","0.0453","0.0435","","","0.1124","0.1143","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118584","11.865","0.003","16.434","0.003","17.172","0.004","90","","104.573","0.003","90","","3240.6","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H58 B N O2 P2 Ru -","- C29 H58 B N O2 P2 Ru -","- C116 H232 B4 N4 O8 P8 Ru4 -","4","2","","Chidambaram Gunanathan; Markus Hölscher; Fangfang Pan; Walter Leitner","Ruthenium Catalyzed Hydroboration of Terminal Alkynes toZ-Vinylboronates","Journal of the American Chemical Society","2012","134","","14349","14352","10.1021/ja307233p","","","0.71073","MoKα","","0.0317","0.0295","","","0.0714","0.073","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118585","8.0095","0.0012","7.7557","0.0012","9.8426","0.0014","90","","108.16","0.002","90","","580.96","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl2 Cs2 Hg I2 -","- Cl2 Cs2 Hg I2 -","- Cl4 Cs4 Hg2 I4 -","2","1","","Gang Zhang; Yanjun Li; Kui Jiang; Huiyi Zeng; Tao Liu; Xingguo Chen; Jingui Qin; Zheshuai Lin; Peizhen Fu; Yicheng Wu; Chuangtian Chen","A New Mixed Halide, Cs2HgI2Cl2: Molecular Engineering for a New Nonlinear Optical Material in the Infrared Region","Journal of the American Chemical Society","2012","134","","14818","14822","10.1021/ja3037299","","","0.71073","MoKα","","0.0433","0.035","","","0.0945","0.1167","","","","","","1.123","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118586","18.548","0.006","19.178","0.006","13.92","0.005","90","","122.838","0.004","90","","4160","2","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Si2 -","- C52 H60 Si2 -","- C208 H240 Si8 -","4","0.5","","Yuan Li; Wee-Kuan Heng; Byung Sun Lee; Naoki Aratani; José L. Zafra; Nina Bao; Richmond Lee; Young Mo Sung; Zhe Sun; Kuo-Wei Huang; Richard D. Webster; Juan T. López Navarrete; Dongho Kim; Atsuhiro Osuka; Juan Casado; Jun Ding; Jishan Wu","Kinetically Blocked Stable Heptazethrene and Octazethrene: Closed-Shell or Open-Shell in the Ground State?","Journal of the American Chemical Society","2012","134","","14913","14922","10.1021/ja304618v","","","0.71073","MoKα","","0.0609","0.048","","","0.13","0.1398","","","","","","1.039","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118587","8.41","0.003","9.846","0.004","14.02","0.006","73.046","0.005","77.078","0.005","87.083","0.005","1082.2","0.7","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H58 Si2 -","- C54 H58 Si2 -","- C54 H58 Si2 -","1","0.5","","Yuan Li; Wee-Kuan Heng; Byung Sun Lee; Naoki Aratani; José L. Zafra; Nina Bao; Richmond Lee; Young Mo Sung; Zhe Sun; Kuo-Wei Huang; Richard D. Webster; Juan T. López Navarrete; Dongho Kim; Atsuhiro Osuka; Juan Casado; Jun Ding; Jishan Wu","Kinetically Blocked Stable Heptazethrene and Octazethrene: Closed-Shell or Open-Shell in the Ground State?","Journal of the American Chemical Society","2012","134","","14913","14922","10.1021/ja304618v","","","0.71073","MoKα","","0.0401","0.0345","","","0.0893","0.0947","","","","","","1.042","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118588","12.5729","0.0019","12.5729","0.0019","25.944","0.008","90","","90","","90","","4101.2","1.5","298","2","298","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C42 H42 Ho4 N2 O24 -","- C42 H28 Ho4 N2 O24 -","- C84 H56 Ho8 N4 O48 -","2","0.25","","Pengyan Wu; Cheng He; Jian Wang; Xiaojun Peng; Xuezhao Li; Yonglin An; Chunying Duan","Photoactive Chiral Metal-Organic Frameworks for Light-Driven Asymmetric α-Alkylation of Aldehydes","Journal of the American Chemical Society","2012","134","","14991","14999","10.1021/ja305367j","","","0.71073","MoKα","","0.1064","0.0664","","","0.1692","0.1908","","","","","","1.017","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118589","9.789","0.014","22.29","0.03","16.53","0.02","90","","91.75","0.03","90","","3605","8","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H36 N4 O10 Zn2 -","- C34 H33 N4 O10 Zn2 -","- C136 H132 N16 O40 Zn8 -","4","2","","Pengyan Wu; Cheng He; Jian Wang; Xiaojun Peng; Xuezhao Li; Yonglin An; Chunying Duan","Photoactive Chiral Metal-Organic Frameworks for Light-Driven Asymmetric α-Alkylation of Aldehydes","Journal of the American Chemical Society","2012","134","","14991","14999","10.1021/ja305367j","","","0.71073","MoKα","","0.1527","0.0734","","","0.1544","0.1866","","","","","","1.004","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118590","64.528","0.01","64.528","0.01","64.528","0.01","90","","90","","90","","268686","7","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C22 H8 Cu O4 -","- C22 H8 Cu O4 -","- C2112 H768 Cu96 O384 -","96","0.5","","Omar K. Farha; Ibrahim Eryazici; Nak Cheon Jeong; Brad G. Hauser; Christopher E. Wilmer; Amy A. Sarjeant; Randall Q. Snurr; SonBinh T. Nguyen; A. Özgür Yazaydin; Joseph T. Hupp","Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?","Journal of the American Chemical Society","2012","134","","15016","15021","10.1021/ja3055639","","","1.54178","CuKα","","0.1568","0.1083","","","0.2648","0.2896","","","","","","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118591","68.706","0.01","68.706","0.01","68.706","0.01","90","","90","","90","","324328","8","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C26 H12 Cu O4 -","- C26 H12 Cu O4 -","- C2496 H1152 Cu96 O384 -","96","0.5","","Omar K. Farha; Ibrahim Eryazici; Nak Cheon Jeong; Brad G. Hauser; Christopher E. Wilmer; Amy A. Sarjeant; Randall Q. Snurr; SonBinh T. Nguyen; A. Özgür Yazaydin; Joseph T. Hupp","Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?","Journal of the American Chemical Society","2012","134","","15016","15021","10.1021/ja3055639","","","1.54178","CuKα","","0.2099","0.1375","","","0.3233","0.3728","","","","","","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118592","8.3972","0.0006","17.4245","0.0012","24.1671","0.0016","90","","90","","90","","3536.1","0.4","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 Cl N O2 P Rh -","- C41 H44 Cl N O2 P Rh -","- C164 H176 Cl4 N4 O8 P4 Rh4 -","4","1","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","0.71073","MoKα","","0.0373","0.0305","","","0.0609","0.0632","","","","","","1.009","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118593","10.0136","0.0005","10.1157","0.0005","10.9568","0.0005","108.517","0.002","101.863","0.002","115.104","0.002","874.95","0.08","147","2","147","2","","","","","","","","3","P 1","P 1","1","","","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","2","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","1.54178","CuKα","","0.0476","0.0441","","","0.1238","0.1265","","","","","","1.075","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118594","11.8304","0.0003","11.6976","0.0003","13.0197","0.0003","90","","103.232","0.001","90","","1753.93","0.08","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H44 Cl N O2 P Rh -","- C41 H44 Cl N O2 P Rh -","- C82 H88 Cl2 N2 O4 P2 Rh2 -","2","1","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","0.71073","MoKα","","0.0236","0.0219","","","0.0513","0.0521","","","","","","1.044","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118595","12.696","0.004","16.77","0.005","20.084","0.006","83.628","0.01","86.485","0.01","82.299","0.009","4207","2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H53 B N2 -","- C52 H53 B N2 -","- C208 H212 B4 N8 -","4","2","","Dawei Tian; Jiang Jiang; Hongfan Hu; Jianying Zhang; Chunming Cui","One-Step Access to Luminescent Pentaaryldiazaboroles via C-C Double Bond Formation from Imidoylstannanes","Journal of the American Chemical Society","2012","134","","14666","14669","10.1021/ja305806r","","","0.71073","MoKα","","0.0902","0.0526","","","0.1016","0.1154","","","","","","1.004","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118596","40.65","0.011","10.558","0.003","22.039","0.006","90","","111.716","0.005","90","","8787","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H47 B F6 N2 -","- C46 H47 B F6 N2 -","- C368 H376 B8 F48 N16 -","8","1","","Dawei Tian; Jiang Jiang; Hongfan Hu; Jianying Zhang; Chunming Cui","One-Step Access to Luminescent Pentaaryldiazaboroles via C-C Double Bond Formation from Imidoylstannanes","Journal of the American Chemical Society","2012","134","","14666","14669","10.1021/ja305806r","","","0.71073","MoKα","","0.0658","0.0519","","","0.137","0.1458","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118597","9.837","0.008","9.489","0.008","10.72","0.009","90","","107.12","0.013","90","","956.3","1.4","298","2","298","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 D20 -","- C26 D20 -","- C52 D40 -","2","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0683","0.044","","","0.1095","0.1224","","","","","","1.072","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118598","9.8224","0.0011","9.6","0.0011","10.672","0.0012","90","","106.837","0.002","90","","963.18","0.19","373","2","373","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 D20 -","- C26 D20 -","- C52 D40 -","2","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0557","0.039","","","0.1067","0.1159","","","","","","1.089","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118599","26.446","0.002","13.7337","0.0011","17.5302","0.0015","90","","126.487","0.002","90","","5119","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 D8 N2 O6 Zn -","- C25 H11 D8 N2 O6 Zn -","- C200 H88 D64 N16 O48 Zn8 -","8","1","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.0908","0.0697","","","0.2031","0.2207","","","","","","1.072","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118600","13.531","0.003","18.291","0.004","22.172","0.006","90","","90","","90","","5487","2","373","2","373","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C20 H11 D8 N O5 Zn -","- C20 D8 N O5 Zn -","- C160 D64 N8 O40 Zn8 -","8","0.5","","Natalia B. Shustova; Ta-Chung Ong; Anthony F. Cozzolino; Vladimir K. Michaelis; Robert G. Griffin; Mircea Dincă","Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission","Journal of the American Chemical Society","2012","134","","15061","15070","10.1021/ja306042w","","","0.71073","MoKα","","0.1083","0.0707","","","0.2366","0.2764","","","","","","1.09","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118601","12.9363","0.0008","10.1434","0.0005","24.9315","0.0014","90","","98.832","0.003","90","","3232.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C152 H136 N8 O16 S8 -","8","2","","Nicklas Selander; Brady T. Worrell; Stepan Chuprakov; Subash Velaparthi; Valery V. Fokin","Arylation of Rhodium(II) Azavinyl Carbenes with Boronic Acids","Journal of the American Chemical Society","2012","134","","14670","14673","10.1021/ja3062453","","","0.71073","MoKα","","0.0671","0.0485","","","0.1056","0.1135","","","","","","1.011","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118602","32.6003","0.0011","32.6003","0.0011","32.6003","0.0011","90","","90","","90","","34647","2","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C264 H168 O64 Zr12 -","- C264 H168 O64 Zr12 -","- C528 H336 O128 Zr24 -","2","0.0104167","","Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou","Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","14690","14693","10.1021/ja3063919","","","0.71073","MoKα","","0.1276","0.0552","","","0.1216","0.1422","","","","","","0.941","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118603","32.657","0.019","32.657","0.019","32.657","0.019","90","","90","","90","","34828","4","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H48 O16 Zr3 -","- C72 H48 O16 Zr3 -","- C576 H384 O128 Zr24 -","8","0.0416667","","Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou","Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","14690","14693","10.1021/ja3063919","","","0.71073","MoKα","","0.1438","0.0913","","","0.2218","0.2433","","","","","","0.962","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118604","32.6919","0.0014","32.6919","0.0014","32.6919","0.0014","90","","90","","90","","34940","3","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C66 H36 N18 O16 Zr3 -","- C72 H36 N18 O16 Zr3 -","- C576 H288 N144 O128 Zr24 -","8","0.0416667","","Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou","Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","14690","14693","10.1021/ja3063919","","","0.71073","MoKα","","0.0659","0.0476","","","0.1361","0.1453","","","","","","1.05","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118605","17.5796","0.0005","18.0261","0.0005","18.1007","0.0006","118.07","0.003","94.307","0.002","110.248","0.003","4548.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 H158 Au20 Cl10 N20 O8 P10 -","- C166 H134 Au20 Cl10 N20 O8 P10 -","- C166 H134 Au20 Cl10 N20 O8 P10 -","1","0.5","","Xian-Kai Wan; Zhi-Wei Lin; Quan-Ming Wang","Au20 Nanocluster Protected by Hemilabile Phosphines","Journal of the American Chemical Society","2012","134","","14750","14752","10.1021/ja307256b","","","0.71073","MoKα","","0.1412","0.0719","","","0.1308","0.1651","","","","","","1.032","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118606","10.6246","0.0003","11.5766","0.0003","33.387","0.002","90","","90","","90","","4106.5","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,4aR,5aS,9aR,10R,10aR)-10-(benzyloxy)-7-methylene-2-phenyloctahydro -4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C192 H208 O40 -","8","2","","Min Huang; Pascal Retailleau; Luis Bohé; David Crich","Cation Clock Permits Distinction Between the Mechanisms of α- and β-O- and β-C-Glycosylation in the Mannopyranose Series: Evidence for the Existence of a Mannopyranosyl Oxocarbenium Ion","Journal of the American Chemical Society","2012","134","","14746","14749","10.1021/ja307266n","","","1.54187","CuKα","","0.0652","0.0401","","","0.0889","0.1178","","","","","","1.132","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118607","15.406","0.003","28.983","0.005","4.5886","0.0009","90","","90","","90","","2048.9","0.7","193","2","193","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(2R,4aR,5aR,9aS,10S,10aR)-10-(benzyloxy)-7-methylene-2-phenyloctahydro -4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Min Huang; Pascal Retailleau; Luis Bohé; David Crich","Cation Clock Permits Distinction Between the Mechanisms of α- and β-O- and β-C-Glycosylation in the Mannopyranose Series: Evidence for the Existence of a Mannopyranosyl Oxocarbenium Ion","Journal of the American Chemical Society","2012","134","","14746","14749","10.1021/ja307266n","","","1.54187","CuKα","","0.1072","0.0741","","","0.1442","0.1735","","","","","","0.999","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118608","19.5003","0.001","10.581","0.0005","14.9192","0.0008","90","","104.811","0.001","90","","2976","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.91 H27.86 Cl0.05 O3.91 Ru -","- C38.906 H27.859 Cl0.047 O3.906 Ru -","- C155.624 H111.436 Cl0.188 O15.624 Ru4 -","4","1","","Sarah Yunmi Lee; Jaclyn M. Murphy; Atsushi Ukai; Gregory C. Fu","Nonenzymatic Dynamic Kinetic Resolution of Secondary Alcohols via Enantioselective Acylation: Synthetic and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","15149","15153","10.1021/ja307425g","","","0.71073","MoKα","","0.0234","0.0212","","","0.0548","0.0564","","","","","","1.057","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118609","14.3602","0.0003","12.081","0.0002","15.8793","0.0003","90","","100.891","0.0009","90","","2705.21","0.09","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H78 N6 Ni2 -","- C58 H78 N6 Ni2 -","- C116 H156 N12 Ni4 -","2","0.5","","Ryan M. Stolley; Hung A. Duong; David R. Thomas; Janis Louie","The Discovery of [Ni(NHC)RCN]2 Species and Their Role as Cycloaddition Catalysts for the Formation of Pyridines","Journal of the American Chemical Society","2012","134","","15154","15162","10.1021/ja3075924","","","0.71073","MoKα","","0.0606","0.0411","","","0.0976","0.1085","","","","","","1.025","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118610","11.2679","0.0002","12.7149","0.0003","23.5803","0.0005","103.003","0.0012","93.2032","0.0013","99.1686","0.0011","3234.86","0.12","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H80 F6 N6 Ni2 -","- C70 H80 F6 N6 Ni2 -","- C140 H160 F12 N12 Ni4 -","2","1","","Ryan M. Stolley; Hung A. Duong; David R. Thomas; Janis Louie","The Discovery of [Ni(NHC)RCN]2 Species and Their Role as Cycloaddition Catalysts for the Formation of Pyridines","Journal of the American Chemical Society","2012","134","","15154","15162","10.1021/ja3075924","","","0.71073","MoKα","","0.09","0.0486","","","0.0968","0.1126","","","","","","1.017","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118611","7.5455","0.0003","14.4979","0.0006","17.2744","0.0008","90","","90","","90","","1889.71","0.14","100","","100","","","","","","","","dichloromethane/hexane","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C88 H100 N4 O8 S4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0269","0.0266","","","0.0679","0.0681","","","","","","1.092","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118612","5.2727","0.0003","8.7836","0.0004","28.3603","0.0013","90","","90","","90","","1313.46","0.11","100","","100","","","","","","","","dichloromethane,hexane","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 S -","- C13 H14 Br N O2 S -","- C52 H56 Br4 N4 O8 S4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54184","Cu-Kα","","0.0196","0.0196","","","0.0491","0.0491","","","","","","1.129","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118613","8.2326","0.0002","9.9596","0.0003","12.9633","0.0004","90","","101.47","0.001","90","","1041.68","0.05","100","","100","","","","","","","","dichloromethane/heptane","4","P 1 21 1","P 2yb","4","","23p","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C54 H46 Br2 O4 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0297","0.0286","","","0.0696","0.0701","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118614","9.0137","0.0013","11.1334","0.0016","11.4146","0.0016","105.241","0.003","101.586","0.003","98.3","0.003","1058.9","0.3","100","","100","","","","","","","","dichloromethane,hexane","4","P -1","-P 1","2","","","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C54 H46 Br2 O4 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.026","0.026","","","0.0654","0.0654","","","","","","1.078","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118615","8.6829","0.001","12.0278","0.0013","20.525","0.002","96.907","0.002","93.178","0.002","102.549","0.002","2069.8","0.4","100","","100","","","","","","","","dichlormethane,hexane","4","P -1","-P 1","2","","31m","","- C27 H23 Br O2 -","- C27 H23 Br O2 -","- C108 H92 Br4 O8 -","4","2","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0596","0.0393","","","0.0892","0.0969","","","","","","1.019","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118616","24.467","0.0011","7.0733","0.0003","15.2093","0.0007","90","","122.791","0.002","90","","2212.73","0.18","100","","100","","","","","","","","pentane/dichloromethane/acetonitrile","5","C 1 2 1","C 2y","5","","(3,5-dinitro)-(3-(2,2-dimethylvinyl)-4,6-dimethoxy-2,3-dihydroindolyl)methanone","","- C87 H89 Cl2 N13 O28 -","- C87 H89 Cl2 N13 O28 -","- C87 H89 Cl2 N13 O28 -","1","0.25","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0625","0.0614","","","0.1696","0.1712","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118617","11.3398","0.0015","20.632","0.003","24.048","0.003","90","","90","","90","","5626.3","1.3","100","","100","","","","","","","","hexane","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 Au Cl N O4 P -","- C62 H78 Au Cl N O4 P -","- C248 H312 Au4 Cl4 N4 O16 P4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0895","0.0446","","","0.0832","0.1004","","","","","","1.048","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118618","12.383","0.003","14.152","0.004","16.719","0.004","90","","111.16","0.004","90","","2732.4","1.2","100","","100","","","","","","","","acetonitrile,diethylether,pentane","7","P 1 21 1","P 2yb","4","","","","- C66 H60 Au Cl N3 O4 P -","- C66 H60 Au Cl N3 O4 P -","- C132 H120 Au2 Cl2 N6 O8 P2 -","2","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0397","0.0321","","","0.0768","0.0802","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118619","10.075","0.0002","16.2784","0.0003","17.9427","0.0003","107.578","0.0014","96.7864","0.0012","102.579","0.0012","2683.91","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H55 O6 -","- C75 H55 O6 -","- C150 H110 O12 -","2","1","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0511","0.0412","","","0.1025","0.1099","","","","","","1.034","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118620","8.5507","0.0002","17.9987","0.0004","16.5702","0.0004","90","","100.065","0.002","90","","2510.93","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 O3 -","- C36 H22 O3 -","- C144 H88 O12 -","4","1","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.04","0.0384","","","0.0962","0.0979","","","","","","1.03","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118621","16.7208","0.0003","8.1057","0.0002","36.3982","0.0007","90","","102.939","0.001","90","","4807.93","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H62 Si2 -","- C58 H62 Si2 -","- C232 H248 Si8 -","4","2","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0323","0.031","","","0.0817","0.0828","","","","","","1.06","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118622","19.4446","0.0004","8.0797","0.0002","20.5841","0.0004","90","","109.916","0.001","90","","3040.49","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H74 Si2 -","- C80 H74 Si2 -","- C160 H148 Si4 -","2","0.5","","Rebecca R. Parkhurst; Timothy M. Swager","Synthesis and Optical Properties of Phenylene-Containing Oligoacenes","Journal of the American Chemical Society","2012","134","","15351","15356","10.1021/ja3043883","","","1.54178","CuKα","","0.0485","0.0447","","","0.1194","0.1238","","","","","","1.031","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118623","36.332","0.005","36.332","0.005","15.208","0.003","90","","90","","90","","20075","6","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C78 H180 Cu6 Mn4 N12 Na4 O96 -","- C78 H60 Cu6 Mn4 N12 Na4 O96 -","- C312 H240 Cu24 Mn16 N48 Na16 O384 -","4","0.25","","Jesús Ferrando-Soria; Pablo Serra-Crespo; Martijn de Lange; Jorge Gascon; Freek Kapteijn; Miguel Julve; Joan Cano; Francesc Lloret; Jorge Pasán; Catalina Ruiz-Pérez; Yves Journaux; Emilio Pardo","Selective Gas and Vapor Sorption and Magnetic Sensing by an Isoreticular Mixed-Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","15301","15304","10.1021/ja3045822","","","0.7385","","","0.1911","0.1906","","","0.5535","0.5536","","","","","","2.87","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118624","7.8833","0.0009","9.5197","0.001","9.8399","0.0011","96.954","0.002","102.101","0.001","106.323","0.001","680.07","0.13","153","1","153","1","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 P6 -","- C28 H28 P6 -","- C28 H28 P6 -","1","0.5","","Kai-Oliver Feldmann; Jan J. Weigand","P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes","Journal of the American Chemical Society","2012","134","","15443","15456","10.1021/ja305406x","","","0.71073","MoKα","","0.031","0.0278","","","0.0729","0.075","","","","","","1.054","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118625","14.8647","0.0005","13.8772","0.0005","19.5756","0.0007","90","","110.079","0.001","90","","3792.6","0.2","153","1","153","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Fe2 O8 P6 -","- C36 H28 Fe2 O8 P6 -","- C144 H112 Fe8 O32 P24 -","4","0.5","","Kai-Oliver Feldmann; Jan J. Weigand","P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes","Journal of the American Chemical Society","2012","134","","15443","15456","10.1021/ja305406x","","","0.71073","MoKα","","0.0314","0.0243","","","0.0575","0.0608","","","","","","1.025","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118626","13.1401","0.0015","15.312","0.002","10.2692","0.0012","90","","94.958","0.004","90","","2058.4","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 P8 -","- C42 H42 P8 -","- C84 H84 P16 -","2","0.5","","Kai-Oliver Feldmann; Jan J. Weigand","P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes","Journal of the American Chemical Society","2012","134","","15443","15456","10.1021/ja305406x","","","0.71073","MoKα","","0.1025","0.0565","","","0.1225","0.1398","","","","","","1.019","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118627","10.175","0.0003","11.2802","0.0004","11.3973","0.0004","87.896","0.002","74.343","0.002","67.681","0.002","1162.05","0.07","173","","173","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C22 H24 Br I N4 O3 -","- C22 H24 Br I N4 O3 -","- C44 H48 Br2 I2 N8 O6 -","2","1","","Dmitrijs Lubriks; Igors Sokolovs; Edgars Suna","Indirect C-H Azidation of Heterocycles via Copper-Catalyzed Regioselective Fragmentation of Unsymmetrical λ3-Iodanes","Journal of the American Chemical Society","2012","134","","15436","15442","10.1021/ja305574k","","","0.71073","MoKα","","0.078","0.051","","0.194","0.137","0.125","","","2.245","2.016","2.016","1.98","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4118628","7.7822","0.0003","12.3633","0.0005","12.6194","0.0006","92.675","0.002","94.9141","0.0014","97.142","0.002","1198.29","0.09","193","","193","2","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C42 H46 Br2 I2 N8 O7 -","- C42 H46 Br2 I2 N8 O7 -","- C42 H46 Br2 I2 N8 O7 -","1","0.5","","Dmitrijs Lubriks; Igors Sokolovs; Edgars Suna","Indirect C-H Azidation of Heterocycles via Copper-Catalyzed Regioselective Fragmentation of Unsymmetrical λ3-Iodanes","Journal of the American Chemical Society","2012","134","","15436","15442","10.1021/ja305574k","","","0.71073","MoKα","","0.1376","0.0791","","","0.1915","0.251","","","","","","1.438","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4118629","16.9301","0.0004","12.074","0.0004","24.2248","0.0007","90","","99.155","0.002","90","","4888.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 N3 P S Si6 U -","- C37 H72 N3 P S Si6 U -","- C148 H288 N12 P4 S4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.0629","0.0342","","","0.0634","0.0712","","","","","","0.994","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118630","16.9733","0.0004","12.0775","0.0004","24.2638","0.0007","90","","99.525","0.002","90","","4905.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 N3 P Se Si6 U -","- C37 H72 N3 P Se Si6 U -","- C148 H288 N12 P4 Se4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.071","0.0555","","","0.1334","0.1399","","","","","","1.339","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118631","17.154","0.0004","12.0776","0.0003","24.4001","0.0006","90","","100.31","0.001","90","","4973.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H72 N3 P Si6 Te U -","- C37 H72 N3 P Si6 Te U -","- C148 H288 N12 P4 Si24 Te4 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.0634","0.0354","","","0.0632","0.0712","","","","","","1.001","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118632","19.8951","0.0015","14.027","0.001","20.5125","0.0013","90","","115.802","0.004","90","","5153.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H84 Co N3 O Si6 U -","- C38 H84 Co N3 O Si6 U -","- C152 H336 Co4 N12 O4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Richard A. Lewis; Guang Wu; Trevor W. Hayton","A Complete Family of Terminal Uranium Chalcogenides, [U(E)(N{SiMe3}2)3]- (E = O, S, Se, Te)","Journal of the American Chemical Society","2012","134","","15468","15475","10.1021/ja305712m","","","0.71073","MoKα","","0.072","0.0461","","","0.0917","0.0986","","","","","","1.115","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118633","14.0164","0.0016","7.1162","0.0008","29.169","0.003","90","","98.685","0.001","90","","2876.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C136 H88 B8 F16 N32 -","8","1","","Yin Yang; Russell P. Hughes; Ivan Aprahamian","Visible Light Switching of a BF2-Coordinated Azo Compound","Journal of the American Chemical Society","2012","134","","15221","15224","10.1021/ja306030d","","x-ray","0.71073","MoKα","","0.047","0.0358","","","0.0817","0.0874","","","","","","1.039","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118634","4.8728","0.0001","23.4575","0.0006","12.785","0.0003","90","","91.338","0.002","90","","1460.97","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C68 H44 B4 F8 N16 -","4","1","","Yin Yang; Russell P. Hughes; Ivan Aprahamian","Visible Light Switching of a BF2-Coordinated Azo Compound","Journal of the American Chemical Society","2012","134","","15221","15224","10.1021/ja306030d","","x-ray","1.54178","CuKα","","0.0822","0.0512","","","0.0885","0.1008","","","","","","1.024","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118635","10.281","0.004","11.029","0.004","12.894","0.004","90","","112.791","0.005","90","","1347.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cr O3 -","- C16 H12 Cr O3 -","- C64 H48 Cr4 O12 -","4","1","","Deven P. Estes; Jack R. Norton; Steffen Jockusch; Wesley Sattler","Mechanisms by which Alkynes React with CpCr(CO)3H. Application to Radical Cyclization","Journal of the American Chemical Society","2012","134","","15512","15518","10.1021/ja306120n","","","0.71073","MoKα","","0.1868","0.0636","","","0.1289","0.1663","","","","","","1.005","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118636","5.9599","0.0004","14.1275","0.0007","11.3539","0.0006","90","","92.37","0.005","90","","955.16","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C44 H56 O6 -","2","1","","Zhanjie Li; Vyacheslav Boyarskikh; Jørn H. Hansen; Jochen Autschbach; Djamaladdin G. Musaev; Huw M. L. Davies","Scope and Mechanistic Analysis of the Enantioselective Synthesis of Allenes by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Propargylic Alcohols","Journal of the American Chemical Society","2012","134","","15497","15504","10.1021/ja3061529","","","1.54178","CuKα","","0.0532","0.0455","","","0.1037","0.1116","","","","","","1.007","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118637","5.7202","0.0002","14.8351","0.0006","26.7155","0.0011","90","","90","","90","","2267.07","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 O3 -","- C27 H30 O3 -","- C108 H120 O12 -","4","1","","Zhanjie Li; Vyacheslav Boyarskikh; Jørn H. Hansen; Jochen Autschbach; Djamaladdin G. Musaev; Huw M. L. Davies","Scope and Mechanistic Analysis of the Enantioselective Synthesis of Allenes by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Propargylic Alcohols","Journal of the American Chemical Society","2012","134","","15497","15504","10.1021/ja3061529","","","1.54178","CuKα","","0.0305","0.0298","","","0.0754","0.0761","","","","","","1.042","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118638","10.984","0.004","15.221","0.004","15.456","0.005","90","","91.546","0.014","90","","2583.1","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O5 S2 -","- C29 H24 N2 O5 S2 -","- C116 H96 N8 O20 S8 -","4","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0608","0.0436","","","0.1085","0.1196","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118639","8.1755","0.0004","30.358","0.0013","10.0881","0.0005","90","","105.939","0.002","90","","2407.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O4 S2 -","- C26 H27 N O4 S2 -","- C104 H108 N4 O16 S8 -","4","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0762","0.0558","","","0.1407","0.1517","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118640","8.9133","0.0004","9.5719","0.0004","13.8983","0.0006","90.866","0.001","91.161","0.001","91.925","0.001","1184.7","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Fe N O4 S2 -","- C26 H25 Fe N O4 S2 -","- C52 H50 Fe2 N2 O8 S4 -","2","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.034","0.0299","","","0.0785","0.081","","","","","","1.047","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118641","12.4526","0.0011","10.6473","0.001","16.4273","0.0014","90","","101.465","0.003","90","","2134.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 S2 -","- C22 H27 N O4 S2 -","- C88 H108 N4 O16 S8 -","4","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0624","0.0414","","","0.1059","0.1185","","","","","","1.026","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118642","7.1779","0.0002","9.0959","0.0003","16.4089","0.0006","103.475","0.002","100.435","0.002","96.05","0.001","1012.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N O4 S2 -","- C22 H19 N O4 S2 -","- C44 H38 N2 O8 S4 -","2","1","","José A. Souto; Peter Becker; Álvaro Iglesias; Kilian Muñiz","Metal-Free Iodine(III)-Promoted Direct Intermolecular C-H Amination Reactions of Acetylenes","Journal of the American Chemical Society","2012","134","","15505","15511","10.1021/ja306211q","","","0.71073","MoKα","","0.0407","0.0366","","","0.1131","0.1188","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118643","17.704","0.003","17.886","0.002","18.825","0.003","90","","100.905","0.015","90","","5853.4","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H68 B Mn N11 -","- C65 H68 B Mn N11 -","- C260 H272 B4 Mn4 N44 -","4","1","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.1334","0.0567","","","0.0966","0.117","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118644","12.513","0.003","12.686","0.003","21.618","0.005","77.915","0.004","85.171","0.004","60.516","0.004","2920.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H75 B Mn N8 O -","- C66.998 H74.985 B Mn N8 O0.998 -","- C133.996 H149.97 B2 Mn2 N16 O1.996 -","2","1","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.1114","0.0594","","","0.1287","0.1515","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118645","17.9947","0.0018","17.9947","0.0018","17.9947","0.0018","90","","90","","90","","5826.8","1","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C57 H63 F12 Mn N8 P2 -","- C57 H63 F12 Mn N8 P2 -","- C228 H252 F48 Mn4 N32 P8 -","4","0.333333","","Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer","Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure","Journal of the American Chemical Society","2012","134","","15538","15544","10.1021/ja306647c","","","0.71073","MoKα","","0.0614","0.0391","","","0.0795","0.0891","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118646","5.7213","0.0002","23.2071","0.001","9.8994","0.0004","90","","91.14","0.002","90","","1314.13","0.09","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","David A. Candito; Dennis Dobrovolsky; Mark Lautens","Development of an Intramolecular Aryne Ene Reaction and Application to the Formal Synthesis of (\±)-Crinine","Journal of the American Chemical Society","2012","134","","15572","15580","10.1021/ja306881u","","","1.54178","CuKα","","0.0356","0.034","","","0.088","0.0894","","","","","","1.039","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118647","11.332","0.003","21.875","0.005","20.992","0.004","90","","101.644","0.009","90","","5097","2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Sc@C82Ad-A","Sc@C82Ad-A","","- C94.5 H14 S5 Sc -","- C94.5 H14 S5 Sc -","- C378 H56 S20 Sc4 -","4","1","","Makoto Hachiya; Hidefumi Nikawa; Naomi Mizorogi; Takahiro Tsuchiya; Xing Lu; Takeshi Akasaka","Exceptional Chemical Properties of Sc@C2v(9)-C82 Probed with Adamantylidene Carbene","Journal of the American Chemical Society","2012","134","","15550","15555","10.1021/ja306890x","","","0.71075","MoKα","","0.1076","0.0827","","","0.2109","0.2234","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118648","30.324","0.003","14.1543","0.0004","11.9424","0.0004","90","","112.35","0.02","90","","4740.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Co Fe2 N14 O2 -","- C44 H32 Co Fe2 N14 O5 -","- C176 H128 Co4 Fe8 N56 O20 -","4","0.5","","Luminita M. Toma; Catalina Ruiz-Pérez; Jorge Pasán; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","Molecular Engineering To Control the Magnetic Interaction between Single-Chain Magnets Assembled in a Two-Dimensional Network","Journal of the American Chemical Society","2012","134","","15265","15268","10.1021/ja307042z","","x-ray","0.71073","MoKα","","0.1189","0.0794","","","0.2308","0.2576","","","","","","1.004","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118649","30.048","0.003","14.0942","0.0004","11.9188","0.0004","90","","113.29","0.02","90","","4636.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Co Fe2 N14 O2 -","- C44 H36 Co Fe2 N14 O2 -","- C176 H144 Co4 Fe8 N56 O8 -","4","0.5","","Luminita M. Toma; Catalina Ruiz-Pérez; Jorge Pasán; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve","Molecular Engineering To Control the Magnetic Interaction between Single-Chain Magnets Assembled in a Two-Dimensional Network","Journal of the American Chemical Society","2012","134","","15265","15268","10.1021/ja307042z","","x-ray","0.71073","MoKα","","0.1877","0.1401","","","0.2975","0.3246","","","","","","1.064","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118650","12.9869","0.0005","15.2767","0.0006","21.773","0.0009","91.848","0.003","100.505","0.003","91.036","0.003","4243.8","0.3","100","2","100","2","","","","","","","synthesis","7","P -1","-P 1","2","","","","- C86 H83 B Br2 F24 N4 Pt -","- C86 H83 B Br2 F24 N4 Pt -","- C172 H166 B2 Br4 F48 N8 Pt2 -","2","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuño; Josefina Díez; Sergio E. García-Garrido; Celia Maya; Agustí Lledós; Salvador Conejero","Characterization of a Paramagnetic, Mononuclear Pt(III)-Alkyl Complex Intermediate in Carbon-Halogen Bond Coupling Reactions","Journal of the American Chemical Society","2012","134","","15261","15264","10.1021/ja307139p","","","1.5418","CuKα","","0.079","0.0607","","","0.1532","0.1726","","","","","","1.009","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118651","15.609","0.0006","15.0856","0.0003","33.552","0.0006","90","","101.828","0.002","90","","7732.8","0.4","100","2","100","2","","","","","","","synthesis","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H67 B F24 I2 N4 Pt -","- C78 H67 B F24 I2 N4 Pt -","- C312 H268 B4 F96 I8 N16 Pt4 -","4","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuño; Josefina Díez; Sergio E. García-Garrido; Celia Maya; Agustí Lledós; Salvador Conejero","Characterization of a Paramagnetic, Mononuclear Pt(III)-Alkyl Complex Intermediate in Carbon-Halogen Bond Coupling Reactions","Journal of the American Chemical Society","2012","134","","15261","15264","10.1021/ja307139p","","","1.5418","CuKα","","0.0809","0.0549","","","0.127","0.1436","","","","","","1.017","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118652","16.7829","0.0005","17.3523","0.0005","18.2034","0.0005","72.456","0.001","79.227","0.001","75.158","0.001","4851.3","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H91 B Br F24 N4 O Pt -","- C90 H91 B Br F24 N4 O Pt -","- C180 H182 B2 Br2 F48 N8 O2 Pt2 -","2","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuño; Josefina Díez; Sergio E. García-Garrido; Celia Maya; Agustí Lledós; Salvador Conejero","Characterization of a Paramagnetic, Mononuclear Pt(III)-Alkyl Complex Intermediate in Carbon-Halogen Bond Coupling Reactions","Journal of the American Chemical Society","2012","134","","15261","15264","10.1021/ja307139p","","","0.71073","MoKα","","0.0362","0.0297","","","0.0806","0.083","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118653","8.4888","0.0003","23.1287","0.0008","8.6817","0.0003","90","","93.537","0.002","90","","1701.27","0.1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl2 Cr N4 -","- C12 H28 Cl2 Cr N4 -","- C48 H112 Cl8 Cr4 N16 -","4","0.5","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0203","0.0195","","","0.0557","0.0564","","","","","","1.069","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118654","8.747","0.0003","13.3414","0.0004","17.967","0.0006","84.462","0.002","78.305","0.002","87.034","0.002","2042.48","0.12","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H70 Cl4 Cr2 N8 O12 -","- C24 H70 Cl4 Cr2 N8 O12 -","- C48 H140 Cl8 Cr4 N16 O24 -","2","1","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0972","0.0497","","","0.1069","0.1256","","","","","","1.024","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118655","9.7456","0.0002","13.1143","0.0003","14.3524","0.0004","90","","90","","90","","1834.33","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl Cr N6 O6 -","- C12 H28 Cl Cr N6 O6 -","- C48 H112 Cl4 Cr4 N24 O24 -","4","1","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0471","0.0402","","","0.1137","0.12","","","","","","0.853","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118656","11.7161","0.0005","14.8135","0.0006","23.0484","0.0013","102.478","0.003","92.417","0.003","109.701","0.002","3648.2","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H116 Cl2 N4 Pd2 -","- C70 H98 Cl2 N4 Pd2 -","- C140 H196 Cl4 N8 Pd4 -","2","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0679","0.0399","","","0.1041","0.1205","","","","","","1.031","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118657","10.517","0.005","22.963","0.011","32.741","0.016","90","","97.774","0.007","90","","7834","7","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C173 H240 N12 Pd4 -","- C168 H228 N12 Pd4 -","- C336 H456 N24 Pd8 -","2","0.5","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","0.71073","MoKα","","0.0791","0.0468","","","0.0979","0.1081","","","","","","1.061","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118658","9.7615","0.0003","13.4772","0.0005","29.0572","0.0013","90","","90","","90","","3822.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H63 Cl N2 Pd -","- C35 H51 Cl N2 Pd -","- C140 H204 Cl4 N8 Pd4 -","4","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0694","0.0586","","","0.1453","0.154","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118659","12.8298","0.0003","15.947","0.0003","19.8577","0.0004","90","","108.184","0.001","90","","3859.92","0.14","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 N3 O Pd -","- C42.002 H59.007 N3 O Pd -","- C168.008 H236.028 N12 O4 Pd4 -","4","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0437","0.039","","","0.1023","0.1056","","","","","","1.071","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118660","9.545","0.002","11.803","0.003","13.848","0.004","94.664","0.003","107.251","0.002","106.439","0.003","1405.6","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 F3 O3 S Sb -","- C33 H24 F3 O3 S Sb -","- C66 H48 F6 O6 S2 Sb2 -","2","1","","Iou-Sheng Ke; Mykhaylo Myahkostupov; Felix N. Castellano; François P. Gabbaï","Stibonium Ions for the Fluorescence Turn-On Sensing of F-in Drinking Water at Parts per Million Concentrations","Journal of the American Chemical Society","2012","134","","15309","15311","10.1021/ja308194w","","","0.71073","MoKα","","0.0226","0.0211","","","0.0516","0.0523","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118661","9.622","0.004","16.82","0.006","14.745","0.006","90","","92.461","0.004","90","","2384.2","1.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F Sb -","- C32 H24 F Sb -","- C128 H96 F4 Sb4 -","4","1","","Iou-Sheng Ke; Mykhaylo Myahkostupov; Felix N. Castellano; François P. Gabbaï","Stibonium Ions for the Fluorescence Turn-On Sensing of F-in Drinking Water at Parts per Million Concentrations","Journal of the American Chemical Society","2012","134","","15309","15311","10.1021/ja308194w","","","0.71073","MoKα","","0.0558","0.0326","","","0.0666","0.0752","","","","","","1.036","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118662","10.8723","0.0003","13.9019","0.0005","14.4817","0.0004","83.887","0.003","78.634","0.002","86.384","0.003","2131.73","0.11","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H59 Cl O P2 Ru -","- C47 H59 Cl O P2 Ru -","- C94 H118 Cl2 O2 P4 Ru2 -","2","1","","Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Loïc Toupet; Stéphane Rigaut; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core","Journal of the American Chemical Society","2012","134","","15628","15631","10.1021/ja304424t","","","0.71073","MoKα","","0.0685","0.0409","","","0.0866","0.0984","","","","","","0.906","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118663","12.1161","0.0002","19.0277","0.0002","35.7678","0.0005","90","","99.739","0.001","90","","8127.1","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H110 Cl10 O2 P4 Ru2 -","- C72 H110 Cl10 O2 P4 Ru2 -","- C288 H440 Cl40 O8 P16 Ru8 -","4","0.5","","Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Loïc Toupet; Stéphane Rigaut; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core","Journal of the American Chemical Society","2012","134","","15628","15631","10.1021/ja304424t","","","0.71073","MoKα","","0.0451","0.0299","","","0.069","0.0719","","","","","","1.03","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118664","7.0979","0.0009","13.6258","0.0016","25.324","0.003","90","","92.031","0.002","90","","2447.7","0.5","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Si2 -","- C28 H28 Si2 -","- C112 H112 Si8 -","4","1","","Jordan D. Wood; Jessica L. Jellison; Aaron D. Finke; Lichang Wang; Kyle N. Plunkett","Electron Acceptors Based on Functionalizable Cyclopenta[hi]aceanthrylenes and Dicyclopenta[de,mn]tetracenes","Journal of the American Chemical Society","2012","134","","15783","15789","10.1021/ja304602t","","","0.71073","MoKα","","0.0513","0.0394","","","0.0972","0.1041","","","","","","1.038","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118665","23.453","0.005","37.806","0.008","25.788","0.005","90","","115.1","0.03","90","","20706","9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C179 H179 Cl9 N44 O28 -","- C179 H179 Cl9 N44 O28 -","- C716 H716 Cl36 N176 O112 -","4","1","","Quan Gan; Yann Ferrand; Nagula Chandramouli; Brice Kauffmann; Christophe Aube; Didier Dubreuil; Ivan Huc","Identification of a Foldaxane Kinetic Byproduct during Guest-Induced Single to Double Helix Conversion","Journal of the American Chemical Society","2012","134","","15656","15659","10.1021/ja3064364","","","0.8265","","","0.1773","0.1554","","","0.3787","0.3959","","","","","","1.455","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118666","23.097","0.004","31.196","0.005","40.446","0.006","90","","100.388","0.007","90","","28665","8","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H134 Cl12 N22 O25 -","- C126 H134 Cl12 N22 O25 -","- C1008 H1072 Cl96 N176 O200 -","8","2","","Quan Gan; Yann Ferrand; Nagula Chandramouli; Brice Kauffmann; Christophe Aube; Didier Dubreuil; Ivan Huc","Identification of a Foldaxane Kinetic Byproduct during Guest-Induced Single to Double Helix Conversion","Journal of the American Chemical Society","2012","134","","15656","15659","10.1021/ja3064364","","","1.54178","CuKα","","0.1867","0.1429","","","0.3437","0.391","","","","","","1.802","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118667","6.9951","0.0012","6.9951","0.0012","8.028","0.003","90","","90","","90","","392.82","0.18","273","2","273","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cr H12 N3 O8 -","- Cr H14 N3 O8 -","- Cr2 H28 N6 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0247","0.0247","","","0.0621","0.0621","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118668","9.8893","0.0012","9.889","","8.0326","0.001","90","","90","","90","","785.55","0.14","203","2","203","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Cr H12 N3 O8 -","- Cr H12 N3 O8 -","- Cr4 H48 N12 O32 -","4","0.5","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0295","0.0291","","","0.0712","0.0714","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118669","10","2","10.0176","0.001","8.0201","0.001","90.013","0.001","90.008","0.003","90.004","0.002","803","16","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- Cr H12 N3 O8 -","- Cr N3 O8 -","- Cr4 N12 O32 -","4","4","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0601","0.0567","","","0.1569","0.1598","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118670","6.9862","0.0003","6.9862","0.0003","7.9044","0.0006","90","","90","","90","","385.79","0.04","193","2","193","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr H8 N2 O8 Rb -","- Cr H8 N1.62 O8 Rb1.38 -","- Cr2 H16 N3.24 O16 Rb2.76 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0242","0.0242","","","0.064","0.0641","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118671","7.0386","0.0003","7.0386","0.0003","8.1748","0.0008","90","","90","","90","","405","0.05","173","2","173","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cr Cs H8 N2 O8 -","- Cr Cs H8 N2 O8 -","- Cr2 Cs2 H16 N4 O16 -","2","0.125","","Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal","Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution","Journal of the American Chemical Society","2012","134","","15953","15962","10.1021/ja3065705","","","0.71073","MoKα","","0.0122","0.0122","","","0.0308","0.0308","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118672","16.395","0.003","28.34","0.005","16.705","0.004","90","","112.733","0.009","90","","7159","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C83 H46 Cl16 -","- C83 H46 Cl16 -","- C332 H184 Cl64 -","4","0.5","","Qianyan Zhang; Katsuaki Kawasumi; Yasutomo Segawa; Kenichiro Itami; Lawrence T. Scott","Palladium-Catalyzed C-H Activation Taken to the Limit. Flattening an Aromatic Bowl by Total Arylation","Journal of the American Chemical Society","2012","134","","15664","15667","10.1021/ja306992k","","","0.71073","MoKα","","0.1061","0.0508","","","0.1038","0.1236","","","","","","1.018","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118673","12.916","0.002","13.32","0.003","25.385","0.005","100.698","0.009","99.299","0.01","105.796","0.009","4024","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H122 Li4 N4 -","- C94 H122 Li4 N4 -","- C188 H244 Li8 N8 -","2","1","","Daniel A. Evans; Alan H. Cowley","Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand","Journal of the American Chemical Society","2012","134","","15672","15675","10.1021/ja307050r","","","0.71069","MoKα","","0.1214","0.0953","","","0.2224","0.2397","","","","","","1.095","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118674","9.841","0.004","25.042","0.008","16.187","0.006","90","","103.111","0.004","90","","3885","2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 N2 -","- C44 H58 N2 -","- C176 H232 N8 -","4","1","","Daniel A. Evans; Alan H. Cowley","Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand","Journal of the American Chemical Society","2012","134","","15672","15675","10.1021/ja307050r","","","0.71073","MoKα","","0.088","0.0621","","","0.1465","0.1731","","","","","","1.064","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118675","10.84","0.003","15.555","0.004","23.01","0.006","90","","91.876","0.003","90","","3877.8","1.8","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H54 N2 O -","- C43.5 H54 N2 O -","- C174 H216 N8 O4 -","4","1","","Daniel A. Evans; Alan H. Cowley","Unique Radical Dearomatization and Two-Electron Reduction of a Redox-Active Ligand","Journal of the American Chemical Society","2012","134","","15672","15675","10.1021/ja307050r","","","0.71075","MoKα","","0.0867","0.0642","","","0.1589","0.1785","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118676","8.9445","0.0003","8.9445","0.0003","20.4004","0.0014","90","","90","","90","","1632.12","0.14","173","2","173","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- C34 H48 N4 Ti2 -","- C34 H48 N4 Ti2 -","- C68 H96 N8 Ti4 -","2","0.125","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0578","0.0462","","","0.1189","0.1242","","","","","","1.11","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118677","9.176","0.007","15.954","0.012","10.588","0.008","90","","111.099","0.015","90","","1446.1","1.9","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H46 N3 Si4 Ti -","- C23 H46 N3 Si4 Ti -","- C46 H92 N6 Si8 Ti2 -","2","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0344","0.0287","","","0.0655","0.0678","","","","","","1.012","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118678","8.5462","0.0004","11.2725","0.0006","20.5189","0.001","94.375","0.004","90.937","0.004","94.744","0.004","1963.71","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N3 Ti -","- C38 H44 N3 Ti -","- C76 H88 N6 Ti2 -","2","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0738","0.0368","","","0.0558","0.0596","","","","","","0.657","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118679","16.2024","0.0006","10.732","0.0004","16.4713","0.0006","90","","95.448","0.003","90","","2851.16","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N2 Ti -","- C35 H36 N2 Ti -","- C140 H144 N8 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0896","0.0412","","","0.0792","0.0872","","","","","","0.767","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118680","13.694","0.0003","30.0123","0.0006","9.9271","0.0002","90","","101.067","0.001","90","","4004.05","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H60 N2 Ti -","- C47 H60 N2 Ti -","- C188 H240 N8 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","1.54178","CuKα","","0.0555","0.0444","","","0.1146","0.1218","","","","","","1.025","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118681","10.7229","0.0002","16.273","0.0003","16.3219","0.0003","90","","90","","90","","2848.07","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 N Ti -","- C32 H47 N Ti -","- C128 H188 N4 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0384","0.0348","","","0.0928","0.0955","","","","","","1.056","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118682","5.4494","0.0002","13.956","0.0006","38.3035","0.0016","90","","90","","90","","2913.1","0.2","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0706","0.0535","","0.1586","0.1289","0.1586","","","","","","0.8702","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118683","7.6002","0.0011","14.786","0.002","26.613","0.004","90","","90","","90","","2990.7","0.7","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C128 H168 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0917","0.0843","","0.1765","0.1617","0.1765","","","","","","1.0759","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118684","11.00084","0.00017","42.3567","0.0006","20.2297","0.0003","90","","90.5529","0.0015","90","","9425.8","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H69 Cl3 Si3 -","- C45 H69 Cl3 Si3 -","- C360 H552 Cl24 Si24 -","8","4","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0567","0.0466","","","0.1171","0.1272","","","","","","0.976","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118685","14.9868","0.0005","17.1992","0.0006","17.4782","0.0006","73.888","0.003","83.705","0.003","85.808","0.003","4297.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C90 H138 Si6 -","- C90 H138 Si6 -","- C180 H276 Si12 -","2","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.116","0.0871","","","0.2762","0.2868","","","","","","1.047","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118686","24.30088","0.00011","31.59551","0.00013","35.05545","0.00016","90","","106.653","0.0005","90","","25786.6","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C127.5 H201.5 Si11 -","- C127.5 H201.501 Si11 -","- C1020 H1612.01 Si88 -","8","2","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0697","0.063","","","0.1716","0.1767","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118687","22.01215","0.00014","17.63669","0.00011","26.02392","0.00017","90","","95.7157","0.0006","90","","10052.8","0.11","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C99 H159 Cl1.1 Si6 -","- C99 H159 Cl1.1 Si6 -","- C396 H636 Cl4.4 Si24 -","4","0.5","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0481","0.0441","","","0.1284","0.1314","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118688","15.1361","0.0004","15.2175","0.0003","17.7339","0.0004","90.6585","0.0018","103.886","0.002","99.861","0.002","3900.84","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H113 I6 Si5 -","- C69 H113 I6 Si5 -","- C138 H226 I12 Si10 -","2","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0389","0.0288","","","0.0658","0.0698","","","","","","1.002","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118689","33.8021","0.0004","26.3632","0.0003","20.2985","0.0002","90","","97.7245","0.001","90","","17924.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C93 H141 Cl2 Si6 -","- C93 H141 Cl2 Si6 -","- C744 H1128 Cl16 Si48 -","8","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","0.71073","MoKα","","0.0885","0.0562","","","0.1524","0.1718","","","","","","1.097","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118690","20.1594","0.0005","27.1066","0.0005","33.288","0.0007","90","","97.8871","0.0019","90","","18018.2","0.7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H145 Cl2 Si6 -","- C93 H145 Cl2 Si6 -","- C744 H1160 Cl16 Si48 -","8","2","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","0.71073","MoKα","","0.1367","0.0722","","","0.1739","0.1871","","","","","","1.069","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118691","14.2467","0.0002","14.8874","0.0003","23.7978","0.0004","89.4263","0.0014","73.4546","0.0013","77.4745","0.0015","4716.05","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H144 Cl4 Si6 -","- C96 H144 Cl4 Si6 -","- C192 H288 Cl8 Si12 -","2","1","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.0506","0.0429","","","0.1209","0.1267","","","","","","1.048","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118692","15.8205","0.0004","23.724","0.0005","25.8774","0.0008","74.715","0.002","77.767","0.003","78.396","0.002","9046.8","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C90.75 H139.75 Cl2 Si6 -","- C90.75 H139.75 Cl2 Si6 -","- C363 H559 Cl8 Si24 -","4","2","","Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz","Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers","Journal of the American Chemical Society","2012","134","","16008","16016","10.1021/ja307344f","","","1.54184","CuKα","","0.184","0.1569","","","0.4608","0.4696","","","","","","1.029","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118693","13.622","0.0006","17.116","0.0008","19.5296","0.0009","101.445","0.002","93.541","0.002","94.14","0.002","4437.7","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C85.69 H65.3 Bi1.92 Cl6 N8 O13.53 -","- C85.69 H61.535 Bi1.9225 Cl6 N8 O13.535 -","- C171.38 H123.07 Bi3.845 Cl12 N16 O27.07 -","2","1","","Btissam Najjari; Stéphane Le Gac; Thierry Roisnel; Vincent Dorcet; Bernard Boitrel","Metal Migration Processes in Homo- and Heterobimetallic Bismuth(III)-Lead(II) Porphyrin Complexes: Emergence of Allosteric Newton's Cradle-like Devices","Journal of the American Chemical Society","2012","134","","16017","16032","10.1021/ja307349d","","x-ray","0.71073","MoKα","","0.1124","0.0633","","","0.1635","0.1803","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118694","44.3331","0.0012","16.6415","0.0004","31.6038","0.001","90","","115.348","0.001","90","","21071.5","1","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H75 Bi N8 O13 Pb S3 -","- C88 H75 Bi N8 O13 Pb S3 -","- C704 H600 Bi8 N64 O104 Pb8 S24 -","8","1","","Btissam Najjari; Stéphane Le Gac; Thierry Roisnel; Vincent Dorcet; Bernard Boitrel","Metal Migration Processes in Homo- and Heterobimetallic Bismuth(III)-Lead(II) Porphyrin Complexes: Emergence of Allosteric Newton's Cradle-like Devices","Journal of the American Chemical Society","2012","134","","16017","16032","10.1021/ja307349d","","x-ray","0.71073","MoKα","","0.0717","0.0505","","","0.1262","0.1328","","","","","","1.122","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118695","10.9576","0.001","17.286","0.0015","28.76","0.002","90","","90","","90","","5447.5","0.8","90","","90","","","","","","","","","6","P c c n","-P 2ab 2ac","56","Lu3N@C80-SiDep2","","","- C101 H26 Lu3 N S2 Si -","- C101 H26 Lu2.52 N S2 Si -","- C404 H104 Lu10.08 N4 S8 Si4 -","4","0.5","","Kumiko Sato; Masahiro Kako; Mitsuaki Suzuki; Naomi Mizorogi; Takahiro Tsuchiya; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka; Shigeru Nagase","Synthesis of Silylene-Bridged Endohedral Metallofullerene Lu3N@Ih-C80","Journal of the American Chemical Society","2012","134","","16033","16039","10.1021/ja3073929","","","0.71073","MoKα","","0.1221","0.1043","","","0.2339","0.2416","","","","","","1.278","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118696","17.231","0.003","11.579","0.003","8.6962","0.0016","90","","94.863","0.008","90","","1728.8","0.6","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Akira Nishimura; Masato Ohashi; Sensuke Ogoshi","Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes","Journal of the American Chemical Society","2012","134","","15692","15695","10.1021/ja3074775","","","1.54187","CuKα","","","0.0585","","","","0.1838","","","","","","1.113","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118697","13.154","0.004","12.91","0.004","27.042","0.008","90","","94.353","0.007","90","","4579","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 N2 Ni O -","- C50 H68 N2 Ni O -","- C200 H272 N8 Ni4 O4 -","4","1","","Akira Nishimura; Masato Ohashi; Sensuke Ogoshi","Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes","Journal of the American Chemical Society","2012","134","","15692","15695","10.1021/ja3074775","","","0.71075","MoKα","","","0.0726","","","","0.1669","","","","","","1.023","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118698","10.666","0.006","16.7757","0.001","27.099","0.016","90","","99.65","0.007","90","","4780","4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 N2 Ni O -","- C54 H70 N2 Ni O -","- C216 H280 N8 Ni4 O4 -","4","1","","Akira Nishimura; Masato Ohashi; Sensuke Ogoshi","Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes","Journal of the American Chemical Society","2012","134","","15692","15695","10.1021/ja3074775","","","0.71075","MoKα","","","0.0487","","","","0.1304","","","","","","1.056","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118699","9.744","0.0005","10.8","0.0004","14.829","0.0007","77.646","0.003","78.774","0.002","70.101","0.002","1420.71","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H25.5 Co N6 O0.25 S2 -","- C30.5 H24 Co N6 O0.25 S2 -","- C61 H48 Co2 N12 O0.5 S4 -","2","1","","Julia Vallejo; Isabel Castro; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Giovanni De Munno; Wolfgang Wernsdorfer; Emilio Pardo","Field-Induced Slow Magnetic Relaxation in a Six-Coordinate Mononuclear Cobalt(II) Complex with a Positive Anisotropy","Journal of the American Chemical Society","2012","134","","15704","15707","10.1021/ja3075314","","","0.71073","MoKα","","0.1145","0.0504","","","0.132","0.1886","","","","","","0.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118700","5.9275","0.0002","22.3693","0.0008","25.6873","0.0009","90","","90","","90","","3406","0.2","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C152 H176 O40 -","8","1","","Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk","Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes","Journal of the American Chemical Society","2012","134","","16054","16058","10.1021/ja3075538","","","0.71073","MoKα","","0.0456","0.0361","","","0.0901","0.0965","","","","","","1.021","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118701","33.1098","0.0013","33.1098","0.0013","6.3799","0.0003","90","","90","","120","","6057","0.4","88","2","88","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C234 H360 O126 -","18","1","","Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk","Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes","Journal of the American Chemical Society","2012","134","","16054","16058","10.1021/ja3075538","","","0.71073","MoKα","","0.041","0.0355","","","0.0931","0.0976","","","","","","1.034","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118702","21.5208","0.0008","19.0796","0.0005","22.3223","0.0008","90","","114.517","0.004","90","","8339.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C75 H100 O20 -","- C75 H100 O20 -","- C300 H400 O80 -","4","1","","Yong Yao; Min Xue; Jianzhuang Chen; Mingming Zhang; Feihe Huang","An Amphiphilic Pillar[5]arene: Synthesis, Controllable Self-Assembly in Water, and Application in Calcein Release and TNT Adsorption","Journal of the American Chemical Society","2012","134","","15712","15715","10.1021/ja3076617","","","1.54184","CuKα","","0.083","0.0629","","","0.1755","0.1935","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118703","14.0494","0.0009","9.3066","0.0007","26.8708","0.0018","90","","93.007","0.004","90","","3508.6","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 B N2 -","- C17 H31 B N2 -","- C136 H248 B8 N16 -","8","2","","Jeffrey M. Farrell; Jillian A. Hatnean; Douglas W. Stephan","Activation of Hydrogen and Hydrogenation Catalysis by a Borenium Cation","Journal of the American Chemical Society","2012","134","","15728","15731","10.1021/ja307995f","","","0.71073","MoKα","","0.0998","0.0537","","","0.1213","0.1439","","","","","","1.012","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118704","16.1615","0.0004","17.6859","0.0003","17.4851","0.0004","90","","114.772","0.001","90","","4537.89","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.55 H36.65 B2 Cl0.45 F20 N2 -","- C47.55 H36.65 B2 Cl0.45 F20 N2 -","- C190.2 H146.6 B8 Cl1.8 F80 N8 -","4","1","","Jeffrey M. Farrell; Jillian A. Hatnean; Douglas W. Stephan","Activation of Hydrogen and Hydrogenation Catalysis by a Borenium Cation","Journal of the American Chemical Society","2012","134","","15728","15731","10.1021/ja307995f","","","0.71073","MoKα","","0.0572","0.0479","","","0.1274","0.1357","","","","","","1.02","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118705","7.1212","0.0005","10.1936","0.0006","20.9572","0.0014","90","","95.486","0.003","90","","1514.33","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0809","0.0523","","","0.1135","0.1262","","","","","","1.052","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118706","9.251","0.0013","10.0419","0.0015","15.538","0.002","90","","90","","90","","1443.4","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0573","0.0444","","","0.0972","0.1024","","","","","","1.017","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118707","9.9898","0.0002","11.2967","0.0003","11.9851","0.0003","69.535","0.001","77.957","0.001","87.466","0.001","1238.68","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N3 O3 -","- C31 H25 N3 O3 -","- C62 H50 N6 O6 -","2","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0499","0.0406","","","0.1066","0.1139","","","","","","1.015","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118708","12.8722","0.0002","9.6885","0.0001","11.3846","0.0001","90","","90","","90","","1419.8","0.03","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N2 O -","- C15 H24 N2 O -","- C60 H96 N8 O4 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0416","0.0346","","","0.0848","0.0895","","","","","","1.023","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118709","12.163","0.001","8.5438","0.0007","16.1345","0.0013","90","","94.225","0.004","90","","1672.1","0.2","94","2","94","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H53 N O5 Si3 -","- C25 H53 N O5 Si3 -","- C50 H106 N2 O10 Si6 -","2","1","","Eric L. Dane; Mark W. Grinstaff","Poly-amido-saccharides: Synthesis via Anionic Polymerization of a β-Lactam Sugar Monomer","Journal of the American Chemical Society","2012","134","","16255","16264","10.1021/ja305900r","","","1.54178","CuKα","","0.1009","0.0713","","","0.1969","0.2065","","","","","","1.069","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118710","15.2916","0.0013","26.09","0.002","26.927","0.003","103.784","0.006","90.188","0.006","99.938","0.005","10265.7","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H108.5 F24 N16.5 O9 P4 -","- C92 H108.5 F24 N16.5 O9 P4 -","- C368 H434 F96 N66 O36 P16 -","4","2","","Albert C. Fahrenbach; Zhixue Zhu; Dennis Cao; Wei-Guang Liu; Hao Li; Sanjeev K. Dey; Subhadeep Basu; Ali Trabolsi; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Radically Enhanced Molecular Switches","Journal of the American Chemical Society","2012","134","","16275","16288","10.1021/ja306044r","","","1.54178","CuKα","","0.1964","0.1049","","","0.2713","0.3438","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118711","17.72","0.007","27.001","0.011","34.238","0.014","90","","90","","90","","16381","11","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 Er3 N16 O5 -","- C72 H60 Cl9 Er3 N16 O5 -","- C576 H480 Cl72 Er24 N128 O40 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.2539","0.1456","","","0.3499","0.4152","","","","","","1.118","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118712","17.768","0.008","26.809","0.011","34.069","0.014","90","","90","","90","","16229","12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 N16 O5 Yb3 -","- C72 H60 Cl9 N16 O5 Yb3 -","- C576 H480 Cl72 N128 O40 Yb24 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.253","0.1561","","","0.3685","0.4357","","","","","","1.141","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118713","33.6487","0.0007","15.2675","0.0003","20.9931","0.0004","90","","119.316","0.001","90","","9403.6","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C151 H154 Co6 N50 O30 W4 -","- C151 H154 Co6 N50 O30 W4 -","- C302 H308 Co12 N100 O60 W8 -","2","0.5","","Szymon Chorazy; Koji Nakabayashi; Kenta Imoto; Jacek Mlynarski; Barbara Sieklucka; Shin-ichi Ohkoshi","Conjunction of Chirality and Slow Magnetic Relaxation in the Supramolecular Network Constructed of Crossed Cyano-Bridged CoII-WV Molecular Chains","Journal of the American Chemical Society","2012","134","","16151","16154","10.1021/ja307520k","","","0.71075","MoKα","","0.0546","0.0444","","","0.0853","0.0888","","","","","","1.074","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118714","33.6237","0.0008","15.257","0.0004","21.0243","0.0005","90","","119.317","0.001","90","","9404","0.4","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C152 H154 Co6 N50 O31 W4 -","- C152 H154 Co6 N50 O31 W4 -","- C304 H308 Co12 N100 O62 W8 -","2","0.5","","Szymon Chorazy; Koji Nakabayashi; Kenta Imoto; Jacek Mlynarski; Barbara Sieklucka; Shin-ichi Ohkoshi","Conjunction of Chirality and Slow Magnetic Relaxation in the Supramolecular Network Constructed of Crossed Cyano-Bridged CoII-WV Molecular Chains","Journal of the American Chemical Society","2012","134","","16151","16154","10.1021/ja307520k","","","0.71075","MoKα","","0.0709","0.0493","","","0.0939","0.1022","","","","","","1.023","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118715","18.82","0.004","15.328","0.003","9.379","0.0019","90","","105.31","0.03","90","","2609.6","1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H23 N O -","- C37 H23 N O -","- C148 H92 N4 O4 -","4","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.126","0.0614","","","0.1271","0.1529","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118716","11.351","0.004","13.592","0.003","19.515","0.006","69.758","0.01","89.373","0.017","75.645","0.015","2727.4","1.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H25 N O -","- C38 H25 N O -","- C152 H100 N4 O4 -","4","2","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.086","0.0562","","","0.0974","0.1074","","","","","","1.102","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118717","11.087","0.002","11.313","0.002","11.699","0.002","94.81","0.03","96.14","0.03","104.89","0.03","1400.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H25 N O2 -","- C38 H25 N O2 -","- C76 H50 N2 O4 -","2","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.1826","0.069","","","0.1593","0.183","","","","","","0.957","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118718","10.942","0.002","11.548","0.002","12.952","0.004","113.694","0.013","95.72","0.03","104.366","0.019","1414.6","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H25 N O -","- C41 H25 N O -","- C82 H50 N2 O2 -","2","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0697","0.0469","","","0.1204","0.1298","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118719","19.948","0.019","5.519","0.005","20.221","0.019","90","","118.718","0.007","90","","1952","3","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H19 N O -","- C27 H19 N O -","- C108 H76 N4 O4 -","4","1","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0545","0.0385","","","0.0806","0.0841","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118720","9.1944","0.0019","10.54","0.002","13.496","0.003","110.638","0.01","97.188","0.019","101.563","0.013","1171.5","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H47 Cl3 N2 O2 -","- C59 H47 Cl3.04 N2 O2 -","- C59 H47 Cl3.04 N2 O2 -","1","0.5","","Xing Tan; Bingxian Liu; Xiangyu Li; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rhodium-Catalyzed Cascade Oxidative Annulation Leading to Substituted Naphtho[1,8-bc]pyrans by Sequential Cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H Bonds","Journal of the American Chemical Society","2012","134","","16163","16166","10.1021/ja3075242","","","0.71073","MoKα","","0.0575","0.0431","","","0.1227","0.1304","","","","","","1.012","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118721","15.0915","0.0013","11.3379","0.001","14.117","0.0012","90","","90","","90","","2415.5","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H11 F3 O -","- C15 H11 F3 O -","- C120 H88 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0548","0.0375","","","0.1175","0.1406","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118722","14.539","0.0012","5.798","0.0006","24.629","0.002","90","","90","","90","","2076.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 F3 O -","- C13 H9 F3 O -","- C104 H72 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0591","0.0419","","","0.1044","0.1138","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118723","14.8625","0.0009","5.8223","0.0003","20.7554","0.0011","90","","90","","90","","1796.05","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl F3 O -","- C9 H6 Cl F3 O -","- C72 H48 Cl8 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0583","0.0476","","","0.1271","0.1368","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118724","8.5746","0.0003","13.0717","0.0004","17.0751","0.0005","78.873","0.003","85.168","0.003","77.155","0.003","1829.18","0.1","123","","123","","","","","","","","see text","7","P -1","-P 1","2","","","","- C60 H98 Cl10 D8 O2 P4 Ru2 -","- C60 H106 Cl10 O2 P4 Ru2 -","- C60 H106 Cl10 O2 P4 Ru2 -","1","0.5","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.0503","0.0395","","","0.0991","0.1024","","","","","","0.975","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118725","25.6092","0.0006","8.5106","0.0003","33.7793","0.0009","90","","99.773","0.002","90","","7255.3","0.4","123","","123","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H118 Cl6 O6 P4 Ru2 -","- C62 H118 Cl6 O6 P4 Ru2 -","- C248 H472 Cl24 O24 P16 Ru8 -","4","0.5","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.056","0.0459","","","0.121","0.1274","","","","","","1.035","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118726","14.388","0.005","16.147","0.005","16.226","0.005","86.826","0.005","66.919","0.005","83.238","0.005","3443.6","1.9","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C60 H104 Cl2 O2 P4 Ru2 -","- C60 H104 Cl2 O2 P4 Ru2 -","- C120 H208 Cl4 O4 P8 Ru4 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.5418","CuKα","","0.0582","0.053","","","0.1571","0.1642","","","","","","1.071","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118727","9.2604","0.0011","9.6988","0.0012","10.6668","0.0014","96.074","0.015","114.763","0.014","107.175","0.014","801.5","0.2","123","","123","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C44 H40 -","- C22 H18 -","- C44 H36 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","","0.71073","MoKα","","0.0996","0.077","","","0.1913","0.2048","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118728","9.9906","0.0009","16.1232","0.0013","10.7986","0.001","90","","98.644","0.01","90","","1719.7","0.3","123","","123","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C35 H55 Cl O P2 Ru -","- C35 H55 Cl O P2 Ru -","- C70 H110 Cl2 O2 P4 Ru2 -","2","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","","0.71073","MoKα","","0.0238","0.022","","","0.053","0.0532","","","","","","1.056","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118729","5.8813","0.0002","7.4818","0.0002","27.4863","0.0007","90","","90","","90","","1209.47","0.06","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C56 H40 Br8 -","4","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.0363","0.0273","","","0.0517","0.0529","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118730","9.4506","0.0004","10.3663","0.0005","20.9206","0.001","90","","100.168","0.002","90","","2017.35","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 -","- C28 H22 N2 -","- C112 H88 N8 -","4","1","","Dmitry Tsvelikhovsky; Stephen L. Buchwald","Correction to Synthesis of Heterocycles via Pd-Ligand Controlled Cyclization of 2-Chloro-N-(2-vinyl)aniline: Preparation of Carbazoles, Indoles, Dibenzazepines, and Acridines","Journal of the American Chemical Society","2012","134","","16917","16917","10.1021/ja3066094","","","1.54178","CuKα","","0.0373","0.0363","","","0.091","0.092","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118731","6.4014","0.0003","38.8137","0.0017","10.4638","0.0005","90","","91.734","0.001","90","","2598.7","0.2","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","PZ3-124-p","","","- C33 H38 O -","- C33 H38 O -","- C132 H152 O4 -","4","1","","Richard Vaughan Williams; W. Daniel Edwards; Pengrong Zhang; David J. Berg; Reginald H. Mitchell","Experimental Verification of the Homoaromaticity of 1,3,5-Cycloheptatriene and Evaluation of the Aromaticity of Tropone and the Tropylium Cation by Use of the Dimethyldihydropyrene Probe","Journal of the American Chemical Society","2012","134","","16742","16752","10.1021/ja306868r","","","0.71073","MoKα","","0.0553","0.0437","","","0.1086","0.1163","","","","","","1.024","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118732","15.2931","0.0005","15.5885","0.0004","11.6512","0.0003","90","","110.74","0.001","90","","2597.61","0.13","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 -","- C33 H40 -","- C132 H160 -","4","1","","Richard Vaughan Williams; W. Daniel Edwards; Pengrong Zhang; David J. Berg; Reginald H. Mitchell","Experimental Verification of the Homoaromaticity of 1,3,5-Cycloheptatriene and Evaluation of the Aromaticity of Tropone and the Tropylium Cation by Use of the Dimethyldihydropyrene Probe","Journal of the American Chemical Society","2012","134","","16742","16752","10.1021/ja306868r","","","0.71073","MoKα","","0.1123","0.0512","","","0.1286","0.1599","","","","","","1.024","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118733","10.0094","0.0005","8.1625","0.0004","20.4952","0.0011","90","","103.407","0.002","90","","1628.86","0.14","100","","100","","","","","","","","ethanole","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","1.54178","Cu-Kα","","0.038","0.0348","","","0.0908","0.0931","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118734","7.6774","0.0003","28.5135","0.001","6.5884","0.0002","90","","90","","90","","1442.26","0.09","100","","100","","","","","","","","dichloromethane,ethanole","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F Si -","- C17 H17 F Si -","- C68 H68 F4 Si4 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","1.54184","Cu-Kα","","0.0871","0.0868","","","0.1966","0.1967","","","","","","1.212","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118735","12.0407","0.0014","11.2123","0.0012","11.861","0.0016","90","","106.89","0.011","90","","1532.2","0.3","100","","100","","","","","","","","ethanole","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 F3 -","- C23 H13 F3 -","- C92 H52 F12 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","0.71073","MoKα","","0.1466","0.0704","","","0.1242","0.151","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118736","28.109","0.004","4.5304","0.0006","33.581","0.005","90","","90.356","0.003","90","","4276.3","1","200","","200","","","","","","","","Methyl-t-butylether,ethanole","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C252 H168 O24 -","12","3","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","0.71073","Mo-Kα","","0.0638","0.0411","","","0.0978","0.1135","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118737","10.0247","0.0018","14.497","0.003","28.512","0.005","90","","90","","90","","4143.6","1.3","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19.5 H18 F6 N4 S -","- C19.5 H18 F6 N4 S -","- C156 H144 F48 N32 S8 -","8","2","","Yi An Cheng; Tao Chen; Chong Kiat Tan; Jun Jie Heng; Ying-Yeung Yeung","Efficient Medium Ring Size Bromolactonization Using a Sulfur-Based Zwitterionic Organocatalyst","Journal of the American Chemical Society","2012","134","","16492","16495","10.1021/ja307210n","","","0.71073","MoKα","","0.1043","0.0794","","","0.1635","0.1748","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118738","6.2504","0.0002","16.0235","0.0005","12.3864","0.0004","90","","94.204","0.001","90","","1237.2","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 B2 N2 -","- C8 H26 B2 N2 -","- C32 H104 B8 N8 -","4","1","","Erin M. Leitao; Naomi E. Stubbs; Alasdair P. M. Robertson; Holger Helten; Robert J. Cox; Guy C. Lloyd-Jones; Ian Manners","Mechanism of Metal-Free Hydrogen Transfer between Amine-Boranes and Aminoboranes","Journal of the American Chemical Society","2012","134","","16805","16816","10.1021/ja307247g","","","0.71073","MoKα","","0.0501","0.0453","","","0.1225","0.1271","","","","","","1.045","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118739","22.5934","0.0018","24.6867","0.0019","25.301","0.002","90","","116.371","0.001","90","","12643.3","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C133 H192 N2 O20 S U2 -","- C133 H192 N2 O20 S U2 -","- C532 H768 N8 O80 S4 U8 -","4","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.073","0.0438","","","0.0984","0.1096","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118740","22.683","0.002","24.772","0.0017","25.456","0.002","90","","116.345","0.006","90","","12818.2","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C133 H192 N2 O20.25 Se0.75 U2 -","- C133.004 H192.01 N2 O20.251 Se0.751 U2 -","- C532.016 H768.04 N8 O81.004 Se3.004 U8 -","4","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.1331","0.0563","","","0.0985","0.118","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118741","14.098","0.0017","15.452","0.002","28.329","0.002","85.748","0.009","85.341","0.01","70.009","0.009","5773.2","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H167 N2 O13 S2 Se U2 -","- C123 H167 N2 O13 S2.01 Se0.99 U2 -","- C246 H334 N4 O26 S4.02 Se1.98 U4 -","2","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.1061","0.0531","","","0.0957","0.1094","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118742","12.9091","0.0008","18.3832","0.0012","24.2368","0.0016","70.309","0.002","75.756","0.002","78.964","0.002","5211.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H157 N2 O12 S2 U2 -","- C119 H157 N2 O12 S2 U2 -","- C238 H314 N4 O24 S4 U4 -","2","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.056","0.04","","","0.077","0.0814","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118743","12.851","0.002","18.369","0.003","24.729","0.004","103.379","0.003","100.659","0.003","100.116","0.003","5433.5","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H167 N2 O14 S Se U2 -","- C123 H167 N2 O14 S Se U2 -","- C246 H334 N4 O28 S2 Se2 U4 -","2","1","","Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer","Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U","Journal of the American Chemical Society","2012","134","","16877","16881","10.1021/ja307539w","","","0.71073","MoKα","","0.1136","0.0878","","","0.1721","0.1773","","","","","","1.692","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118744","11.668","0.004","17.093","0.006","18.174","0.006","64.95","0.005","76.278","0.005","88.581","0.006","3178.2","1.9","173","2","173","2","","","","","","","","5","P 1","P 1","1","ccs27jan11","","","- C104 H212 Li16 N16 O10 -","- C104 H212 Li16 N16 O10 -","- C104 H212 Li16 N16 O10 -","1","1","","Timothy K. Beng; William S. Tyree; Trent Parker; Chicheung Su; Paul G. Williard; Robert E. Gawley","Dynamics of Catalytic Resolution of 2-Lithio-N-Boc-piperidine by Ligand Exchange","Journal of the American Chemical Society","2012","134","","16845","16855","10.1021/ja307796e","","","0.71073","","","0.0923","0.0753","","","0.2011","0.2277","","","","","","1.036","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118745","9.3809","0.0002","18.3068","0.0003","20.857","0.0004","63.132","0.001","77.83","0.001","82.528","0.001","3120.91","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H88 N4 O2 S Zn -","- C70 H80 N4 O S Zn -","- C140 H160 N8 O2 S2 Zn2 -","2","1","","Yusuke Mitsushige; Shigeru Yamaguchi; Byung Sun Lee; Young Mo Sung; Susanne Kuhri; Christoph A. Schierl; Dirk M. Guldi; Dongho Kim; Yutaka Matsuo","Synthesis of Thieno-Bridged Porphyrins: Changing the Antiaromatic Contribution by the Direction of the Thiophene Ring","Journal of the American Chemical Society","2012","134","","16540","16543","10.1021/ja3082999","","","1.54187","CuKα","","0.2124","0.129","","","0.3359","0.4207","","","","","","1.167","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118746","9.3691","0.0002","18.3238","0.0003","20.9081","0.0004","63.18","0.001","77.685","0.001","82.022","0.001","3125.89","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H88 N4 O2 S Zn -","- C70.0722 H80 N4 O S Zn -","- C140.144 H160 N8 O2 S2 Zn2 -","2","1","","Yusuke Mitsushige; Shigeru Yamaguchi; Byung Sun Lee; Young Mo Sung; Susanne Kuhri; Christoph A. Schierl; Dirk M. Guldi; Dongho Kim; Yutaka Matsuo","Synthesis of Thieno-Bridged Porphyrins: Changing the Antiaromatic Contribution by the Direction of the Thiophene Ring","Journal of the American Chemical Society","2012","134","","16540","16543","10.1021/ja3082999","","","1.54187","CuKα","","0.1639","0.1109","","","0.3012","0.3623","","","","","","1.11","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118747","9.8862","0.0003","15.2264","0.0004","19.7875","0.0006","83.203","0.001","85.808","0.002","79.181","0.002","2901.17","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 N5 O2 S Zn -","- C64 H69 N5 O S Zn -","- C128 H138 N10 O2 S2 Zn2 -","2","1","","Yusuke Mitsushige; Shigeru Yamaguchi; Byung Sun Lee; Young Mo Sung; Susanne Kuhri; Christoph A. Schierl; Dirk M. Guldi; Dongho Kim; Yutaka Matsuo","Synthesis of Thieno-Bridged Porphyrins: Changing the Antiaromatic Contribution by the Direction of the Thiophene Ring","Journal of the American Chemical Society","2012","134","","16540","16543","10.1021/ja3082999","","","1.54187","CuKα","","0.1625","0.099","","","0.2548","0.3182","","","","","","0.931","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118748","11.0933","0.001","11.5651","0.0012","14.6276","0.0013","83.478","0.003","77.578","0.002","60.886","0.003","1601.1","0.3","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","2","","Takuya Kochi; Taro Hamasaki; Yuka Aoyama; Junichi Kawasaki; Fumitoshi Kakiuchi","Chain-Walking Strategy for Organic Synthesis: Catalytic Cycloisomerization of 1,n-Dienes","Journal of the American Chemical Society","2012","134","","16544","16547","10.1021/ja308377u","","","0.71075","MoKα","","0.1829","0.0787","","","0.1513","0.2011","","","","","","1.074","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118749","11.667","0.004","24.155","0.008","17.914","0.008","90","","107.131","0.015","90","","4824","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H74 N2 Ru4 -","- C52 H67 N2 Ru4 -","- C208 H268 N8 Ru16 -","4","1","","Shin Takemoto; Yusuke Yamazaki; Takahiro Yamano; Daichi Mashima; Hiroyuki Matsuzaka","Synthesis and N-H Reductive Elimination Study of Dinuclear Ruthenium Imido Dihydride Complexes","Journal of the American Chemical Society","2012","134","","17027","17035","10.1021/ja3005682","","","0.71075","MoKα","","0.1525","0.0772","","","0.1952","0.2364","","","","","","1.043","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118750","12.088","0.004","15.545","0.006","17.205","0.005","105.741","0.012","94.616","0.012","90.083","0.015","3100.7","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H45 N Ru2 -","- C36 H44 N Ru2 -","- C144 H176 N4 Ru8 -","4","2","","Shin Takemoto; Yusuke Yamazaki; Takahiro Yamano; Daichi Mashima; Hiroyuki Matsuzaka","Synthesis and N-H Reductive Elimination Study of Dinuclear Ruthenium Imido Dihydride Complexes","Journal of the American Chemical Society","2012","134","","17027","17035","10.1021/ja3005682","","","0.71075","MoKα","","0.0732","0.043","","","0.0975","0.1137","","","","","","1.061","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118751","9.8111","0.0003","16.9862","0.0005","28.4069","0.0006","90","","92.167","0.002","90","","4730.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N3 P S -","- C29 H24 N3 P S -","- C232 H192 N24 P8 S8 -","8","2","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54178","CuKα","","0.0763","0.0465","","","0.103","0.1159","","","","","","1.026","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118752","24.3421","0.0005","16.6719","0.0004","51.6817","0.001","90","","90","","90","","20973.9","0.8","100","2","100","2","","","","","","","","9","P b c n","-P 2n 2ab","60","","","","- C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8 -","- C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8 -","- C704 H656 Cl20 F168 Fe8 N48 P60 Pt16 S32 -","4","0.5","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54178","CuKα","","0.1655","0.0845","","","0.2033","0.2341","","","","","","0.973","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118753","23.0433","0.0014","13.5812","0.0009","43.188","0.002","90","","90","","90","","13515.9","1.4","100","2","99.99","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C88 H82 F36 Fe N6 P10 Pt2 S4 -","- C88 H82 F36 Fe N6 P10 Pt2 S4 -","- C352 H328 F144 Fe4 N24 P40 Pt8 S16 -","4","0.5","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.1231","0.0715","","","0.1766","0.194","","","","","","1.017","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118754","19.1432","0.001","12.9117","0.0006","18.0593","0.0009","90","","104.07","0.003","90","","4329.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 Cl4 N3 P2 Pt S2 -","- C45 H43 Cl4 N3 P2 Pt S2 -","- C180 H172 Cl16 N12 P8 Pt4 S8 -","4","1","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.0942","0.0634","","","0.1649","0.1856","","","","","","1.093","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118755","13.9318","0.001","14.0436","0.0009","25.6532","0.0018","90","","98.507","0.004","90","","4963.9","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H43 Cl2 F12 N3 P4 Pt S2 -","- C45 H43 Cl2 F12 N3 P4 Pt S2 -","- C180 H172 Cl8 F48 N12 P16 Pt4 S8 -","4","1","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","0.71073","MoKα","","0.107","0.0565","","","0.1269","0.1516","","","","","","1.038","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118756","18.4572","0.0006","20.941","0.0018","33.9256","0.0011","81.963","0.002","75.988","0.001","75.426","0.002","12269.6","1.2","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C117 H98 Cl2 F24 Fe2 N12 P8 S4 -","- C117 H98 Cl2 F24 Fe2 N12 P8 S4 -","- C468 H392 Cl8 F96 Fe8 N48 P32 S16 -","4","2","","Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin","One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties","Journal of the American Chemical Society","2012","134","","16921","16924","10.1021/ja3045019","","","1.54184","CUKα","","0.1252","0.0816","","","0.2218","0.2458","","","","","","1.034","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118757","13.3363","0.0008","17.3169","0.0012","19.2559","0.0013","90","","107.706","0.003","90","","4236.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H61 Fe N3 O -","- C49 H61 Fe N3 O -","- C196 H244 Fe4 N12 O4 -","4","1","","Jonathan M. Darmon; S. Chantal E. Stieber; Kevin T. Sylvester; Ignacio Fernández; Emil Lobkovsky; Scott P. Semproni; Eckhard Bill; Karl Wieghardt; Serena DeBeer; Paul J. Chirik","Oxidative Addition of Carbon-Carbon Bonds with a Redox-Active Bis(imino)pyridine Iron Complex","Journal of the American Chemical Society","2012","134","","17125","17137","10.1021/ja306526d","","","0.71073","MoKα","","0.0842","0.0572","","","0.1433","0.1632","","","","","","1.026","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118758","23.457","0.005","11.424","0.005","26.677","0.005","90","","101.426","0.005","90","","7007","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 Fe N3 -","- C44 H43 Fe N3 -","- C352 H344 Fe8 N24 -","8","2","","Jonathan M. Darmon; S. Chantal E. Stieber; Kevin T. Sylvester; Ignacio Fernández; Emil Lobkovsky; Scott P. Semproni; Eckhard Bill; Karl Wieghardt; Serena DeBeer; Paul J. Chirik","Oxidative Addition of Carbon-Carbon Bonds with a Redox-Active Bis(imino)pyridine Iron Complex","Journal of the American Chemical Society","2012","134","","17125","17137","10.1021/ja306526d","","","0.71073","MoKα","","0.059","0.0414","","","0.0922","0.0993","","","","","","1.049","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118759","18.311","0.0006","8.0874","0.0003","25.3857","0.0008","90","","104.61","0.001","90","","3637.8","0.2","150","","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Au N2 O2 P S6 -","- C34 H30 Au N2 O2 P S6 -","- C136 H120 Au4 N8 O8 P4 S24 -","4","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0219","0.0162","","","0.0532","0.0782","","","","","","1.418","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118760","17.9569","0.0015","10.796","0.0009","14.222","0.0012","90","","102.209","0.004","90","","2694.8","0.4","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Au N3 O2 S2 Se4 -","- C18 H30 Au N3 O2 S2 Se4 -","- C72 H120 Au4 N12 O8 S8 Se16 -","4","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","x-ray","0.71073","MoKα","","0.0506","0.0426","","","0.1246","0.13","","","","","","1.137","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118761","9.5164","0.0007","12.9011","0.0009","10.9576","0.0007","90","","96.033","0.003","90","","1337.84","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Au N3 S4 Se4 -","- C18 H30 Au N3 S4 Se4 -","- C36 H60 Au2 N6 S8 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0356","0.0298","","","0.0826","0.0852","","","","","","1.178","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118762","14.135","0.003","4.137","0.0011","13.46","0.003","90","","97.14","0.03","90","","781","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S6 -","- C10 H10 Au N2 O2 S6 -","- C20 H20 Au2 N4 O4 S12 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","x-ray","0.71073","MoKα","","0.0648","0.0401","","","0.0986","0.121","","","","","","0.961","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118763","14.7952","0.0003","4.1628","0.0001","13.4493","0.0003","90","","95.717","0.008","90","","824.22","0.03","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S2 Se4 -","- C10 H10 Au N2 O2 S2 Se4 -","- C20 H20 Au2 N4 O4 S4 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0929","0.0548","","","0.1283","0.1554","","","","","","1.074","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118764","14.5116","0.0005","4.0984","0.0003","14.3554","0.0005","90","","92.613","0.004","90","","852.89","0.08","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 S4 Se4 -","- C10 H10 Au N2 S4 Se4 -","- C20 H20 Au2 N4 S8 Se8 -","2","0.5","","Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes","Journal of the American Chemical Society","2012","134","","17138","17148","10.1021/ja3065649","","","0.71073","MoKα","","0.0272","0.0206","","","0.0393","0.041","","","","","","1.109","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118765","9.768","0.002","15.864","0.003","18.139","0.004","90","","104.84","0.03","90","","2717.1","1","240","1","240","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Motis-209(Manab)","","","- C22 H40 Cl2 N6 Ti -","- C22 H40 Cl2 N6 Ti -","- C88 H160 Cl8 N24 Ti4 -","4","1","","Manab Sharma; Haneen Simaan Yameen; Boris Tumanskii; Sabina-Alexandra Filimon; Matthias Tamm; Moris S. Eisen","Bis(1,3-di-tert-butylimidazolin-2-iminato) Titanium Complexes as Effective Catalysts for the Monodisperse Polymerization of Propylene","Journal of the American Chemical Society","2012","134","","17234","17244","10.1021/ja3071545","","","0.71073","MoKα","","0.0917","0.0441","","","0.0846","0.0929","","","","","","0.863","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118766","8.8826","0.001","10.1582","0.0012","15.4847","0.0018","100.154","0.002","96.555","0.002","108.72","0.002","1280.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Br N5 O4 S -","- C26 H24 Br N5 O4 S -","- C52 H48 Br2 N10 O8 S2 -","2","1","","Johannes Belmar; Raymond L. Funk","Total Synthesis of (\±)-Communesin F via a Cycloaddition with Indol-2-one","Journal of the American Chemical Society","2012","134","","16941","16943","10.1021/ja307277w","","","0.71073","MoKα","","0.0604","0.0474","","","0.1307","0.1394","","","","","","1.043","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118767","15.598","0.006","14.092","0.005","12.888","0.004","90","","99.079","0.01","90","","2797.4","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 N3 O4 -","- C30 H37 N3 O4 -","- C120 H148 N12 O16 -","4","1","","Johannes Belmar; Raymond L. Funk","Total Synthesis of (\±)-Communesin F via a Cycloaddition with Indol-2-one","Journal of the American Chemical Society","2012","134","","16941","16943","10.1021/ja307277w","","","0.71073","MoKα","","0.1352","0.0639","","","0.1335","0.1577","","","","","","1.037","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118768","7.31328","0.00017","13.5237","0.0003","19.3724","0.0004","90","","90","","90","","1915.98","0.07","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O Si -","- C23 H24 O Si -","- C92 H96 O4 Si4 -","4","1","","Ryo Shintani; Eleanor E. Maciver; Fumiko Tamakuni; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzooxasilines via Enantioselective Transmetalation","Journal of the American Chemical Society","2012","134","","16955","16958","10.1021/ja3076555","","","1.54187","CuKα","","","0.057","","","","0.1199","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118769","9.68805","0.00018","10.08629","0.00018","20.5544","0.0004","90","","99.1108","0.0007","90","","1983.16","0.06","93.1","","93","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 O Si -","- C23 H26 O Si -","- C92 H104 O4 Si4 -","4","2","","Ryo Shintani; Eleanor E. Maciver; Fumiko Tamakuni; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzooxasilines via Enantioselective Transmetalation","Journal of the American Chemical Society","2012","134","","16955","16958","10.1021/ja3076555","","","1.54187","CuKα","","","0.0373","","","","0.1064","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118770","10.765","0.004","42.779","0.012","11.074","0.003","90","","112.42","0.009","90","","4714","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 N Ni O4 P2 -","- C57 H53 N Ni O4 P2 -","- C228 H212 N4 Ni4 O16 P8 -","4","1","","Kevin T. Sylvester; Kevin Wu; Abigail G. Doyle","Mechanistic Investigation of the Nickel-Catalyzed Suzuki Reaction of N,O-Acetals: Evidence for Boronic Acid Assisted Oxidative Addition and an Iminium Activation Pathway","Journal of the American Chemical Society","2012","134","","16967","16970","10.1021/ja3079362","","","1.54178","CuKα","","0.0544","0.0474","","","0.1173","0.1208","","","","","","1.124","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118771","14.278","0.0005","16.2816","0.0006","17.9728","0.001","103.497","0.003","100.949","0.003","115.919","0.002","3444.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H61 B F15 N Ni O5 P2 -","- C79 H61 B F15 N Ni O5 P2 -","- C158 H122 B2 F30 N2 Ni2 O10 P4 -","2","1","","Kevin T. Sylvester; Kevin Wu; Abigail G. Doyle","Mechanistic Investigation of the Nickel-Catalyzed Suzuki Reaction of N,O-Acetals: Evidence for Boronic Acid Assisted Oxidative Addition and an Iminium Activation Pathway","Journal of the American Chemical Society","2012","134","","16967","16970","10.1021/ja3079362","","","1.54178","CuKα","","0.0651","0.0557","","","0.1574","0.1677","","","","","","1.046","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118772","10.282","0.0001","15.9061","0.0002","16.4165","0.0002","110.974","0.001","94.27","0.001","95.688","0.001","2477.1","0.05","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C51 H44 Cl4 F3 N Ni O6 P2 S -","- C51 H44 Cl4 F3 N Ni O6 P2 S -","- C102 H88 Cl8 F6 N2 Ni2 O12 P4 S2 -","2","1","","Kevin T. Sylvester; Kevin Wu; Abigail G. Doyle","Mechanistic Investigation of the Nickel-Catalyzed Suzuki Reaction of N,O-Acetals: Evidence for Boronic Acid Assisted Oxidative Addition and an Iminium Activation Pathway","Journal of the American Chemical Society","2012","134","","16967","16970","10.1021/ja3079362","","","1.54178","CuKα","","0.0467","0.0438","","","0.1218","0.1246","","","","","","1.028","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118773","26.459","0.005","12.07","0.002","31.234","0.006","90","","90","","90","","9975","3","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H72 B2 Eu O6 -","- C48 H72 B2 Eu O6 -","- C384 H576 B16 Eu8 O48 -","8","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.098","0.0603","","","0.1148","0.1304","","","","","","1.136","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118774","11.431","0.002","15.283","0.003","24.648","0.005","90","","90","","90","","4306","1.4","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 B2 O5 Yb -","- C44 H60 B2 O5 Yb -","- C176 H240 B8 O20 Yb4 -","4","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0387","0.0302","","","0.0581","0.0594","","","","","","0.891","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118775","10.12","0.002","12.01","0.002","19.092","0.004","80.49","0.03","89.93","0.03","70.13","0.03","2148.5","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 B Eu N2 O2 P2 Si2 -","- C39 H59 B Eu N2 O2 P2 Si2 -","- C78 H118 B2 Eu2 N4 O4 P4 Si4 -","2","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0425","0.0376","","","0.0897","0.0914","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118776","10.104","0.002","11.976","0.002","18.965","0.004","79.88","0.03","89.61","0.03","70.33","0.03","2123.9","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 B N2 O2 P2 Si2 Yb -","- C39 H59 B N2 O2 P2 Si2 Yb -","- C78 H118 B2 N4 O4 P4 Si4 Yb2 -","2","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0527","0.0446","","","0.1072","0.1099","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118777","29.976","0.004","7.7137","0.0011","7.5088","0.001","90","","90","","90","","1736.2","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.1412","0.097","","","0.2167","0.2449","","","","","","1.19","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118778","6.8937","0.0012","15.987","0.003","16.978","0.003","90","","101.917","0.004","90","","1830.8","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C76 H116 N4 O12 -","4","2","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.094","0.0669","","","0.1347","0.1472","","","","","","1.107","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118779","13.5787","0.0015","5.2656","0.0008","14.435","0.002","90","","91.579","0.004","90","","1031.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O5 -","- C21 H31 N O5 -","- C42 H62 N2 O10 -","2","1","","Zhi Ren; Fanyang Mo; Guangbin Dong","Catalytic Functionalization of Unactivated sp3 C-H Bonds viaexo-Directing Groups: Synthesis of Chemically Differentiated 1,2-Diols","Journal of the American Chemical Society","2012","134","","16991","16994","10.1021/ja3082186","","","0.71075","MoKα","","0.0568","0.0484","","","0.1113","0.1151","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118780","6.2177","0.0004","12.0255","0.0007","19.413","0.0011","90","","90","","90","","1451.53","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F2 N O2 S -","- C15 H15 F2 N O2 S -","- C60 H60 F8 N4 O8 S4 -","4","1","","Xiao Shen; Wei Zhang; Chuanfa Ni; Yucheng Gu; Jinbo Hu","Tuning the Reactivity of Difluoromethyl Sulfoximines from Electrophilic to Nucleophilic: Stereoselective Nucleophilic Difluoromethylation of Aryl Ketones","Journal of the American Chemical Society","2012","134","","16999","17002","10.1021/ja308419a","","","0.71073","MoKα","","0.0313","0.0295","","","0.0761","0.0776","","","","","","1.038","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118781","5.9675","0.0012","10.996","0.002","22.753","0.005","90","","90","","90","","1493","0.5","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br F2 N O2 S -","- C14 H12 Br F2 N O2 S -","- C56 H48 Br4 F8 N4 O8 S4 -","4","1","","Xiao Shen; Wei Zhang; Chuanfa Ni; Yucheng Gu; Jinbo Hu","Tuning the Reactivity of Difluoromethyl Sulfoximines from Electrophilic to Nucleophilic: Stereoselective Nucleophilic Difluoromethylation of Aryl Ketones","Journal of the American Chemical Society","2012","134","","16999","17002","10.1021/ja308419a","","","1.54178","CuKα","","0.0337","0.0333","","","0.0901","0.0905","","","","","","1.052","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118782","9.2084","0.0005","30.7322","0.0018","7.3395","0.0004","90","","96.773","0.001","90","","2062.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","- C80 H80 N8 O8 S16 -","4","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0528","0.0392","","","0.0914","0.1071","","","","","","1.084","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118783","8.5502","0.0006","7.5474","0.0006","9.7027","0.0007","90","","95.337","0.001","90","","623.42","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C26 H32 N4 O8 -","2","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0317","0.0293","","","0.078","0.0804","","","","","","1.03","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118784","23.0261","0.0018","7.022","0.0006","10.1269","0.0008","90","","102.844","0.001","90","","1596.4","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.0459","0.0384","","","0.0943","0.1019","","","","","","1.07","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118785","6.602","0.003","10.144","0.005","12.973","0.007","90","","95.204","0.006","90","","865.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N3 O6 -","- C15 H21 N3 O6 -","- C30 H42 N6 O12 -","2","1","","K. C. Nicolaou; Min Lu; Sotirios Totokotsopoulos; Philipp Heretsch; Denis Giguère; Ya-Ping Sun; David Sarlah; Thu H. Nguyen; Ian C. Wolf; Donald F. Smee; Craig W. Day; Selina Bopp; Elizabeth A. Winzeler","Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8'-epi-ent-Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents","Journal of the American Chemical Society","2012","134","","17320","17332","10.1021/ja308429f","","","0.71073","MoKα","","0.1146","0.0743","","","0.1753","0.2012","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118786","18.482","0.002","5.4608","0.0005","11.513","0.0009","90","","101.623","0.009","90","","1138.14","0.19","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H13 Br O2 -","- C12 H13 Br O2 -","- C48 H52 Br4 O8 -","4","1","","Lin Zhou; Xiaohua Liu; Jie Ji; Yuheng Zhang; Xiaolei Hu; Lili Lin; Xiaoming Feng","Enantioselective Baeyer-Villiger Oxidation: Desymmetrization of Meso Cyclic Ketones and Kinetic Resolution of Racemic 2-Arylcyclohexanones","Journal of the American Chemical Society","2012","134","","17023","17026","10.1021/ja309262f","","","0.7107","MoKα","","0.0584","0.0394","","","0.0658","0.073","","","","","","1.037","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118787","26.5997","0.0015","9.6741","0.0005","31.4984","0.0018","90","","90.3563","0.0006","90","","8105.3","0.8","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Co N5 O7 S3 -","- C37 H59 Co N5 O7 S3 -","- C296 H472 Co8 N40 O56 S24 -","8","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0429","0.0328","","","0.0803","0.0853","","","","","","1.028","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4118788","9.4438","0.0004","17.481","0.0007","17.5309","0.0007","73.4591","0.0004","88.5336","0.0004","85.2907","0.0005","2765","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H69 Ca Co F3 N4 O16 S4 -","- C44 H69 Ca Co F3 N4 O16 S4 -","- C88 H138 Ca2 Co2 F6 N8 O32 S8 -","2","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0526","0.0461","","","0.1336","0.1387","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118789","21.1381","0.0008","9.0319","0.0003","21.2593","0.0008","90","","95.0347","0.0004","90","","4043.1","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Co N5 O6 S3 -","- C37 H57 Co N5 O6 S3 -","- C148 H228 Co4 N20 O24 S12 -","4","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0414","0.0335","","","0.084","0.0886","","","","","","1.035","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118790","11.2366","0.0006","15.2439","0.0007","17.5369","0.0009","71.805","0.0006","84.3928","0.0006","77.3591","0.0006","2783.1","0.2","88","2","88","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 Co F3 N4 O15 S4 -","- C45 H68 Ca Cl2 Co F3 N4 O15 S4 -","- C90 H136 Ca2 Cl4 Co2 F6 N8 O30 S8 -","2","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0423","0.0346","","","0.0945","0.0996","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118791","7.6668","0.0004","14.8717","0.0008","17.4049","0.0009","92.56","0.0007","96.5047","0.0007","101.754","0.0007","1925.67","0.18","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H49 Cl2 Co N4 O7 S3 -","- C34 H49 Cl2 Co N4 O7 S3 -","- C68 H98 Cl4 Co2 N8 O14 S6 -","2","1","","David C. Lacy; Young Jun Park; Joseph W. Ziller; Junko Yano; A. S. Borovik","Assembly and Properties of Heterobimetallic CoII/III/CaII Complexes with Aquo and Hydroxo Ligands","Journal of the American Chemical Society","2012","134","","17526","17535","10.1021/ja304525n","","","0.71073","MoKα","","0.0639","0.0382","","","0.0799","0.0894","","","","","","1.016","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4118792","7.7863","0.0012","11.916","0.0019","14.044","0.002","66.302","0.002","82.377","0.002","79.641","0.002","1171.1","0.3","248","2","248","2","","","","","","","","5","P -1","-P 1","2","[Cl2NN]Cu(py)","","","- C22 H18 Cl4 Cu N3 -","- C22 H18 Cl4 Cu N3 -","- C44 H36 Cl8 Cu2 N6 -","2","1","","Raymond T. Gephart; Claire L. McMullin; Nicholas G. Sapiezynski; Eun Sil Jang; Mae Joanne B. Aguila; Thomas R. Cundari; Timothy H. Warren","Reaction of CuIwith Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C-H Etherification","Journal of the American Chemical Society","2012","134","","17350","17353","10.1021/ja3053688","","","0.71073","MoKα","","0.0556","0.0456","","","0.1335","0.139","","","","","","1.068","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118793","15.735","0.002","8.2314","0.0011","27.148","0.004","90","","104.291","0.002","90","","3407.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cl2NNCu]-OCMe2Ph","","","- C35 H35 Cl4 Cu N2 O2 -","- C35 H35 Cl4 Cu N2 O2 -","- C140 H140 Cl16 Cu4 N8 O8 -","4","1","","Raymond T. Gephart; Claire L. McMullin; Nicholas G. Sapiezynski; Eun Sil Jang; Mae Joanne B. Aguila; Thomas R. Cundari; Timothy H. Warren","Reaction of CuIwith Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C-H Etherification","Journal of the American Chemical Society","2012","134","","17350","17353","10.1021/ja3053688","","","0.71073","MoKα","","0.0869","0.0475","","","0.088","0.097","","","","","","0.993","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118794","16.6","0.0017","16.6","0.0017","7.1395","0.0007","90","","90","","90","","1967.4","0.3","293","2","293","2","","","100","","","","","3","P -4","P -4","81","tetra-(4-(7-norbonadienyl)-phenyl)-silan","tetra-(4-(7-norbonadienyl)-phenyl)-silan","","- C52 H44 Si -","- C52 H44 Si -","- C104 H88 Si2 -","2","0.5","","Ulrich Stoeck; Georg Nickerl; Ulrich Burkhardt; Irena Senkovska; Stefan Kaskel","Modular Construction of a Porous Organometallic Network Based on Rhodium Olefin Complexation","Journal of the American Chemical Society","2012","134","","17335","17337","10.1021/ja305482a","","x-ray","0.71073","MoKα","","0.1267","0.0542","","","0.1069","0.1337","","","","","","0.893","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118795","28.326","0.006","33.526","0.007","38.772","0.008","82.52","0.03","70.34","0.03","66.11","0.03","31702","15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C456 H576 Cu24 O118 Si24 -","- C456 H576 Cu24 O118 Si24 -","- C912 H1152 Cu48 O236 Si48 -","2","1","","Tian-Fu Liu; Ying-Pin Chen; Andrey A. Yakovenko; Hong-Cai Zhou","Interconversion between Discrete and a Chain of Nanocages: Self-Assembly via a Solvent-Driven, Dimension-Augmentation Strategy","Journal of the American Chemical Society","2012","134","","17358","17361","10.1021/ja306150x","","","0.71073","MoKα","","0.1632","0.0942","","","0.214","0.2333","","","","","","1.014","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118796","23.318","0.004","7.5855","0.0007","10.579","0.0013","90","","101.398","0.013","90","","1834.3","0.4","144.9","","144.9","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H21 Br O4 -","- C20 H21 Br O4 -","- C80 H84 Br4 O16 -","4","1","","Ke Zheng; Xiaohua Liu; Song Qin; Mingsheng Xie; Lili Lin; Changwei Hu; Xiaoming Feng","Completely OH-Selective FeCl3-Catalyzed Prins Cyclization: Highly Stereoselective Synthesis of 4-OH-Tetrahydropyrans","Journal of the American Chemical Society","2012","134","","17564","17573","10.1021/ja3062002","","","0.7107","MoKα","","0.0469","0.0391","","","0.0614","0.0667","","","","","","1.009","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118797","10.6122","0.0003","11.6784","0.0004","12.4269","0.0004","90","","100.647","0.002","90","","1513.6","0.08","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Cl N O2 S -","- C13 H20 Cl N O2 S -","- C52 H80 Cl4 N4 O8 S4 -","4","1","","Gretchen R. Stanton; Per-Ola Norrby; Patrick J. Carroll; Patrick J. Walsh","Chelation-Controlled Addition of Organozincs to α-Chloro Aldimines","Journal of the American Chemical Society","2012","134","","17599","17604","10.1021/ja306781z","","","0.71073","MoKα","","0.0368","0.0336","","","0.0897","0.093","","","","","","1.043","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118798","12.9922","0.0006","7.2462","0.0003","21.1428","0.0011","90","","102.75","0.002","90","","1941.39","0.16","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N O2 S -","- C20 H24 Cl N O2 S -","- C80 H96 Cl4 N4 O8 S4 -","4","1","","Gretchen R. Stanton; Per-Ola Norrby; Patrick J. Carroll; Patrick J. Walsh","Chelation-Controlled Addition of Organozincs to α-Chloro Aldimines","Journal of the American Chemical Society","2012","134","","17599","17604","10.1021/ja306781z","","","0.71073","MoKα","","0.0367","0.0342","","","0.091","0.0925","","","","","","1.164","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118799","14.41336","0.0001","14.41336","","14.41336","","90","","90","","90","","2994.3","0.02","298","","298","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al0.1 Na0.09 O Si0.4 -","- Al0.1 Na0.0948908 O Si0.4 -","- Al9.6 Na9.10952 O96 Si38.4 -","96","2","","Magdalena M. Lozinska; Enzo Mangano; John P. S. Mowat; Ashley M. Shepherd; Russell F. Howe; Stephen P. Thompson; Julia E. Parker; Stefano Brandani; Paul A. Wright","Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases","Journal of the American Chemical Society","2012","134","","17628","17642","10.1021/ja3070864","powder diffraction","x-ray","0.827159","synchrotron","","","","","","","","0.06993","","1.53","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4118800","14.62823","0.00006","14.62823","","14.62823","","90","","90","","90","","3130.22","0.013","298","","298","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C0.11 Al0.1 Na0.1 O1.21 Si0.4 -","- C0.105255 Al0.1 Na0.0958333 O1.21051 Si0.4 -","- C10.1045 Al9.6 Na9.2 O116.209 Si38.4 -","96","2","","Magdalena M. Lozinska; Enzo Mangano; John P. S. Mowat; Ashley M. Shepherd; Russell F. Howe; Stephen P. Thompson; Julia E. Parker; Stefano Brandani; Paul A. Wright","Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases","Journal of the American Chemical Society","2012","134","","17628","17642","10.1021/ja3070864","powder diffraction","x-ray","0.827159","synchrotron","","","","","","","","0.07395","","2.43","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4118801","12.0762","0.0008","13.2664","0.0008","15.0653","0.0011","80.999","0.006","71.602","0.005","83.461","0.006","2256.6","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","5,5-difluoro-3-((E)-2-(4'-hexyl-[2,2'-bithiophen]-5-yl)vinyl)-7- ((E)-2-(5-hexyl-[2,3'-bithiophen]-5'-yl) vinyl)-10-(4-iodophenyl)-1,9-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinin-4-ium-5-uide","","- C49 H50 B F2 I N2 S4 -","- C49 H50 B F2 I N2 S4 -","- C98 H100 B2 F4 I2 N4 S8 -","2","1","","Thomas Bura; Nicolas Leclerc; Sadiara Fall; Patrick Lévêque; Thomas Heiser; Pascal Retailleau; Sandra Rihn; Antoine Mirloup; Raymond Ziessel","High-Performance Solution-Processed Solar Cells and Ambipolar Behavior in Organic Field-Effect Transistors with Thienyl-BODIPY Scaffoldings","Journal of the American Chemical Society","2012","134","","17404","17407","10.1021/ja3072513","","","1.54187","CuKα","","0.094","0.061","","","0.1327","0.1658","","","","","","1.115","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118802","10.5783","0.0014","12.3288","0.0017","17.236","0.002","90","","93.714","0.002","90","","2243.2","0.5","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N12 O4 Zn2 -","- C14 H24 N12 O4 Zn2 -","- C56 H96 N48 O16 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0395","0.0334","","","0.0937","0.0985","","","","","","1.03","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118803","10.7032","0.0011","12.319","0.0012","17.0785","0.0017","90","","95.532","0.002","90","","2241.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N12 Zn2 -","- C14 H16 N12 Zn2 -","- C56 H64 N48 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0363","0.032","","","0.0861","0.0904","","","","","","1.035","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118804","10.68","0.003","12.356","0.003","17.104","0.005","90","","95.47","0.004","90","","2246.8","1.1","195","2","195","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N12 Zn2 -","- C14 H16 N12 Zn2 -","- C56 H64 N48 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0493","0.0359","","","0.0885","0.0965","","","","","","1.054","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118805","10.665","0.001","12.4195","0.0012","17.1416","0.0016","90","","95.38","0.001","90","","2260.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N12 Zn2 -","- C14 H16 N12 Zn2 -","- C56 H64 N48 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0423","0.0307","","","0.0806","0.0878","","","","","","1.031","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118806","10.6825","0.0013","12.3388","0.0015","17.126","0.002","90","","95.447","0.002","90","","2247.2","0.5","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.07 H16 N12 O0.15 Zn2 -","- C14.073 H16 N12 O0.146 Zn2 -","- C56.292 H64 N48 O0.584 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0391","0.0298","","","0.078","0.0839","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118807","10.8291","0.0017","12.529","0.002","16.848","0.003","90","","94.993","0.003","90","","2277.2","0.7","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.51 H16 N12 O3.02 Zn2 -","- C15.511 H16 N12 O3.022 Zn2 -","- C62.044 H64 N48 O12.088 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0496","0.0432","","","0.1186","0.1225","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118808","10.877","0.005","12.829","0.006","16.881","0.008","90","","94.445","0.006","90","","2348.5","1.9","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16.8 H16 N12 O5.6 Zn2 -","- C16.8 H16 N12 O5.6 Zn2 -","- C67.2 H64 N48 O22.4 Zn8 -","4","1","","Pei-Qin Liao; Dong-Dong Zhou; Ai-Xin Zhu; Lu Jiang; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen","Strong and Dynamic CO2 Sorption in a Flexible Porous Framework Possessing Guest Chelating Claws","Journal of the American Chemical Society","2012","134","","17380","17383","10.1021/ja3073512","","","0.71073","MoKα","","0.0523","0.0447","","","0.1221","0.1275","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118809","18.1681","0.0006","16.4128","0.0007","22.4646","0.0008","90","","116.419","0.002","90","","5999.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 F6 O6 P2 Pd S2 -","- C21 H42 F6 O6 P2 Pd S2 -","- C168 H336 F48 O48 P16 Pd8 S16 -","8","2","","Philipp Roesle; Christoph J. Dürr; Heiko M. Möller; Luigi Cavallo; Lucia Caporaso; Stefan Mecking","Mechanistic Features of Isomerizing Alkoxycarbonylation of Methyl Oleate","Journal of the American Chemical Society","2012","134","","17696","17703","10.1021/ja307411p","","","0.71073","MoKα","","0.0806","0.0727","","","0.162","0.1646","","","","","","1.33","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118810","11.1756","0.0003","12.7568","0.0003","14.323","0.0007","90","","90","","90","","2041.96","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 Au Cl P S -","- C18 H31 Au Cl P S -","- C72 H124 Au4 Cl4 P4 S4 -","4","1","","Yingdong Luo; Kegong Ji; Yuxue Li; Liming Zhang","Tempering the Reactivities of Postulated α-Oxo Gold Carbenes Using Bidentate Ligands: Implication of Tricoordinated Gold Intermediates and the Development of an Expedient Bimolecular Assembly of 2,4-Disubstituted Oxazoles","Journal of the American Chemical Society","2012","134","","17412","17415","10.1021/ja307948m","","","0.71073","MoKα","","0.0253","0.0229","","","0.0491","0.0497","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118811","20.709","0.003","12.9232","0.0018","23.009","0.003","90","","90","","90","","6157.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H16 Br4 Cl4 O3 -","- C30 H20 Br4 Cl4 O3 -","- C240 H160 Br32 Cl32 O24 -","8","1","","Hiroki Takezawa; Takashi Murase; Makoto Fujita","Temporary and Permanent Trapping of the Metastable Twisted Conformer of an Overcrowded Chromic Alkene via Encapsulation","Journal of the American Chemical Society","2012","134","","17420","17423","10.1021/ja308101a","","","0.71073","MoKα","","0.0672","0.0405","","","0.0721","0.0838","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118812","10.3442","0.0004","12.3935","0.0004","14.0201","0.0005","107.678","0.002","90.213","0.002","112.531","0.002","1567.01","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(4Z,5Z)-5-[bis(trimethylsilyl)hydrazin-1-ylidene]-1,3-bis(trimethylsilyl)-4- (2-trimethylsilyl)hydrazin-1-ylidene)pyrazole","","- C18 H46 N6 Si5 -","- C18 H46 N6 Si5 -","- C36 H92 N12 Si10 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0837","0.0507","","","0.1109","0.1211","","","","","","1.048","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118813","9.3503","0.0003","12.6572","0.0004","12.7666","0.0004","117.845","0.001","110.488","0.001","91.987","0.001","1215.12","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(trimethylsilyl)diazomethane","","- C7 H18 N2 Si2 -","- C7 H18 N2 Si2 -","- C28 H72 N8 Si8 -","4","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0493","0.0388","","","0.1035","0.108","","","","","","1.052","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118814","14.3146","0.0017","14.1503","0.0017","23.972","0.003","90","","90","","90","","4855.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-bis(trimethylsilyl)aminoisonitrile","","- C7 H18 N2 Si2 -","- C7 H18 N2 Si2 -","- C112 H288 N32 Si32 -","16","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0782","0.0415","","","0.0963","0.1071","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118815","16.8725","0.0009","12.8944","0.0007","19.1131","0.0011","90","","104.297","0.002","90","","4029.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-bis(trimethylsilyl)amino-trimethylsilylisonitrilium tetrakis(pentafluorophenyl)borate","","- C34 H27 B F20 N2 Si3 -","- C34 H27 B F20 N2 Si3 -","- C136 H108 B4 F80 N8 Si12 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0665","0.042","","","0.1118","0.1216","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118816","10.7784","0.0004","13.0786","0.0006","12.4834","0.0005","90","","107.655","0.002","90","","1676.86","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N,N-bis(trimethylsilyl)amino-trimethylsilylisonitrilium closo-7,8,9,10,11,12-hexabromocarboranate","","- C11 H33 B11 Br6 N2 Si3 -","- C11 H33 B11 Br6 N2 Si3 -","- C22 H66 B22 Br12 N4 Si6 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0633","0.0351","","","0.0634","0.0709","","","","","","0.975","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118817","16.8136","0.0004","12.8837","0.0003","19.1298","0.0005","90","","104.172","0.001","90","","4017.8","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-bis(trimethylsilyl)amino-N-(trimethylsilyl)nitrilium tetrakis(pentafluorophenyl)borate","","- C34 H27 B F20 N2 Si3 -","- C34 H27 B F20 N2 Si3 -","- C136 H108 B4 F80 N8 Si12 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0654","0.0385","","","0.0992","0.1078","","","","","","1.061","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118818","17.1527","0.0007","17.3935","0.0007","16.4602","0.0007","90","","99.545","0.002","90","","4842.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H33 B F20 N2 Si2 -","- C50 H33 B F20 N2 Si2 -","- C200 H132 B4 F80 N8 Si8 -","4","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.1238","0.0471","","","0.0797","0.1048","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118819","11.0271","0.0004","11.5575","0.0004","12.7306","0.0005","72.3","0.002","65.855","0.002","82.876","0.002","1410.43","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(trimethylsilyl)aminoisonitrile tris(pentafluorophenyl)borane adduct","","- C25 H18 B F15 N2 Si2 -","- C25 H18 B F15 N2 Si2 -","- C50 H36 B2 F30 N4 Si4 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.042","0.0341","","","0.1001","0.1043","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118820","11.0352","0.0005","11.5683","0.0005","12.7373","0.0006","72.303","0.002","65.866","0.002","82.875","0.002","1413.67","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bis(trimethylsilyl)aminoisonitrile tris(pentafluorophenyl)borane adduct","","- C25 H18 B F15 N2 Si2 -","- C25 H18 B F15 N2 Si2 -","- C50 H36 B2 F30 N4 Si4 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0853","0.0451","","","0.1002","0.1116","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118821","11.9027","0.0006","13.7351","0.0007","21.8917","0.0011","84.898","0.002","86.585","0.002","79.752","0.002","3504.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl- 1H-pyrazole","","- C21 H54 N6 Si6 -","- C21 H54 N6 Si6 -","- C84 H216 N24 Si24 -","4","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0827","0.0485","","","0.1238","0.1347","","","","","","1.073","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118822","11.5287","0.0004","12.7713","0.0004","13.9033","0.0005","96.101","0.002","108.397","0.002","92.853","0.002","1923.91","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl- 1H-pyrazole n-hexane hemisolvate","","- C24 H61 N6 Si6 -","- C24 H61 N6 Si6 -","- C48 H122 N12 Si12 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0758","0.0434","","","0.1149","0.1251","","","","","","1.069","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118823","11.7738","0.0005","12.8782","0.0006","13.945","0.0006","95.703","0.002","104.49","0.002","94.198","0.002","2026.44","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-(trimethylsilyl)diazenyl-3-[N,N',N'-tris(trimethylsilyl)]hydrazinyl- 1H-pyrazole hexamethyldisiloxane hemisolvate","","- C24 H63 N6 O0.5 Si7 -","- C24 H63 N6 O0.5 Si7 -","- C48 H126 N12 O Si14 -","2","1","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0622","0.0393","","","0.1076","0.1161","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118824","21.273","0.0003","11.9713","0.0002","17.7886","0.0002","90","","99.588","0.001","90","","4466.86","0.11","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C43 H46 O10 -","- C43 H46 O10 -","- C172 H184 O40 -","4","1","","Nathan L. Strutt; David Fairen-Jimenez; Julien Iehl; Marianne B. Lalonde; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp; J. Fraser Stoddart","Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","17436","17439","10.1021/ja3082523","","","1.54178","CuKα","","0.0684","0.0645","","","0.2009","0.2036","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118825","14.5211","0.0002","34.3107","0.0004","11.8765","0.0001","90","","97.264","0.001","90","","5869.73","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H61 N O13 -","- C60 H61 N O13 -","- C240 H244 N4 O52 -","4","1","","Nathan L. Strutt; David Fairen-Jimenez; Julien Iehl; Marianne B. Lalonde; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp; J. Fraser Stoddart","Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","17436","17439","10.1021/ja3082523","","","1.54178","CuKα","","0.0669","0.0574","","","0.1587","0.1648","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118826","14.5704","0.0011","15.7185","0.0012","30.632","0.002","90","","96.597","0.001","90","","6969","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H74 N10 Ni2 O12 S2 -","- C75 H74 N10 Ni2 O12 S2 -","- C300 H296 N40 Ni8 O48 S8 -","4","1","","Eunsung Lee; Jacob M. Hooker; Tobias Ritter","Nickel-Mediated Oxidative Fluorination for PET with Aqueous [18F] Fluoride","Journal of the American Chemical Society","2012","134","","17456","17458","10.1021/ja3084797","","","0.71073","MoKα","","0.104","0.0605","","","0.1416","0.1627","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118827","11.4943","0.0002","12.2951","0.0002","16.956","0.0003","90","","90","","90","","2396.28","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N3 O3 -","- C25 H39 N3 O3 -","- C100 H156 N12 O12 -","4","1","","Pavol Jakubec; Alison Hawkins; Wolfgang Felzmann; Darren J. Dixon","Total Synthesis of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2012","134","","17482","17485","10.1021/ja308826x","","","0.71073","MoKα","","0.0786","0.0476","","0.1408","0.1088","0.1408","","","","","","0.9183","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118828","10.3715","0.0002","8.9189","0.0002","11.0807","0.0003","90","","114.652","0.001","90","","931.57","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O7 -","- C19 H26 N2 O7 -","- C38 H52 N4 O14 -","2","1","","Pavol Jakubec; Alison Hawkins; Wolfgang Felzmann; Darren J. Dixon","Total Synthesis of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2012","134","","17482","17485","10.1021/ja308826x","","","0.71073","MoKα","","0.061","0.0409","","0.0881","0.0803","0.0881","","","","","","0.9389","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118829","7.6481","0.0009","8.8247","0.0011","11.7268","0.0014","90","","93.619","0.002","90","","789.89","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Zheng-Hui Guan; Ming Chen; Zhi-Hui Ren","Palladium-Catalyzed Regioselective Carbonylation of C-H Bonds of N-Alkyl Anilines for Synthesis of Isatoic Anhydrides","Journal of the American Chemical Society","2012","134","","17490","17493","10.1021/ja308976x","","","0.71073","MoKα","","0.0671","0.0449","","","0.1239","0.1445","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118830","9.9834","0.0014","18.151","0.003","27.004","0.004","90","","98.644","0.002","90","","4837.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H46 Cl3 N2 P2 Pd2 -","- C50.5 H46 Cl3 N2 P2 Pd2 -","- C202 H184 Cl12 N8 P8 Pd8 -","4","1","","Zheng-Hui Guan; Ming Chen; Zhi-Hui Ren","Palladium-Catalyzed Regioselective Carbonylation of C-H Bonds of N-Alkyl Anilines for Synthesis of Isatoic Anhydrides","Journal of the American Chemical Society","2012","134","","17490","17493","10.1021/ja308976x","","","0.71073","MoKα","","0.0646","0.0454","","","0.1176","0.1292","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118831","10.03684","0.00017","27.5045","0.0004","17.5871","0.0003","90","","97.1843","0.0015","90","","4816.95","0.14","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Br2 N2 P2 Pd2 -","- C50 H46 Br2 N2 P2 Pd2 -","- C200 H184 Br8 N8 P8 Pd8 -","4","1","","Zheng-Hui Guan; Ming Chen; Zhi-Hui Ren","Palladium-Catalyzed Regioselective Carbonylation of C-H Bonds of N-Alkyl Anilines for Synthesis of Isatoic Anhydrides","Journal of the American Chemical Society","2012","134","","17490","17493","10.1021/ja308976x","","","1.5418","CuKα","","0.0585","0.0532","","","0.1538","0.1591","","","","","","1.056","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118832","10.3377","0.0011","11.1725","0.0012","19.4295","0.0019","87.286","0.005","79.613","0.005","88.849","0.006","2204.7","0.4","303.2","0.1","303.2","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.71073","MoKα","","0.0819","0.0541","","","0.1383","0.1605","","","","","","1.063","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118833","10.3858","0.0017","11.276","0.002","19.379","0.003","87.288","0.01","81.024","0.007","88.6","0.01","2238.8","0.6","373.2","0.1","373.2","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.71073","MoKα","","0.1144","0.0662","","","0.1716","0.2066","","","","","","1.027","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118834","10.211","0.004","11.919","0.006","18.54","0.007","85.67","0.03","86.5","0.03","87.66","0.04","2244.3","1.7","401.2","0.2","401.2","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.71073","MoKα","","0.1957","0.1097","","","0.2798","0.3624","","","","","","1.042","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118835","10.1942","0.0012","11.1306","0.0015","19.424","0.002","86.904","0.004","77.795","0.004","88.815","0.005","2150.9","0.4","113.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.7 F6 Fe N O8 P0.3 -","- C43 H54 As0.7 F6 Fe N O8 P0.3 -","- C86 H108 As1.4 F12 Fe2 N2 O16 P0.6 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.0763","","","","0.0868","","","","","","1.238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118836","10.1083","0.0015","11.6133","0.0017","17.984","0.002","85.696","0.004","87.424","0.005","88.937","0.004","2102.8","0.5","113.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 As F6 Fe N O8 -","- C43 H54 As F6 Fe N O8 -","- C86 H108 As2 F12 Fe2 N2 O16 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.0288","","","","0.0374","","","","","","0.606","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118837","11.714","0.0017","16.999","0.002","10.2955","0.0014","93.325","0.004","92.377","0.003","88.795","0.003","2044.5","0.5","113.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 F6 Fe N O8 P -","- C42 H52 F6 Fe N O8 P -","- C84 H104 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.035","","","","0.0486","","","","","","0.964","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118838","10.669","0.008","11.889","0.01","16.255","0.011","78.87","0.03","77.94","0.03","85.64","0.03","1977","3","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 F6 Fe N O8 P -","- C37 H50 F6 Fe N O8 P -","- C74 H100 F12 Fe2 N2 O16 P2 -","2","1","","Masaki Horie; Yuji Suzaki; Daisuke Hashizume; Tomoko Abe; Tiendi Wu; Takafumi Sassa; Takuya Hosokai; Kohtaro Osakada","Thermally-Induced Phase Transition of Pseudorotaxane Crystals: Changes in Conformation and Interaction of the Molecules and Optical Properties of the Crystals","Journal of the American Chemical Society","2012","134","","17932","17944","10.1021/ja304406c","","","0.7107","MoKα","","","0.0637","","","","0.0828","","","","","","0.967","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118839","51.02","0.01","5.7091","0.0011","9.941","0.002","90","","94.55","0.03","90","","2886.5","1","180","2","180","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Co N2 O4 -","- C24 H52 Co N2 O4 -","- C96 H208 Co4 N8 O16 -","4","0.5","","Nikos Liakakos; Benoît Cormary; Xiaojian Li; Pierre Lecante; Marc Respaud; Laurent Maron; Andrea Falqui; Alessandro Genovese; Laure Vendier; Spyros Koïnis; Bruno Chaudret; Katerina Soulantica","The Big Impact of a Small Detail: Cobalt Nanocrystal Polymorphism as a Result of Precursor Addition Rate during Stock Solution Preparation","Journal of the American Chemical Society","2012","134","","17922","17931","10.1021/ja304487b","","","0.71073","MoKα","","0.0968","0.0636","","","0.1208","0.1356","","","","","","0.991","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118840","5.4579","0.0015","12.568","0.004","21.459","0.006","90","","93.467","0.006","90","","1469.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","k080409","","","- C42 H28 N2 -","- C42 H28 N2 -","- C84 H56 N4 -","2","0.5","","Kyung-Ryang Wee; Yang-Jin Cho; Soyeong Jeong; Soonnam Kwon; Jong-Dae Lee; Il-Hwan Suh; Sang Ook Kang","Carborane-Based Optoelectronically Active Organic Molecules: Wide Band Gap Host Materials for Blue Phosphorescence","Journal of the American Chemical Society","2012","134","","17982","17990","10.1021/ja3066623","","","0.71073","mokα","","0.0971","0.0446","","","0.1009","0.1288","","","","","","1.03","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118841","11.6333","0.0003","15.5748","0.0004","32.6991","0.0008","101.06","0.001","90.252","0.001","110.141","0.001","5443","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(ArDpme)CoCl(py)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(II) chloride pyridine","","- C71 H54 Cl Co N3 -","- C71 H54 Cl Co N3 -","- C284 H216 Cl4 Co4 N12 -","4","2","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.0727","0.0421","","","0.0836","0.0946","","","","","","1.01","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118842","20.485","0.002","17.5727","0.0017","14.6905","0.0015","90","","94.802","0.002","90","","5269.7","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(ArDpme)Co(py)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(I) pyridine","","- C71 H54 Co N3 -","- C71 H54 Co N3 -","- C284 H216 Co4 N12 -","4","0.5","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.1043","0.0743","","","0.223","0.2461","","","","","","1.047","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118843","12.5057","0.001","12.8018","0.001","21.6877","0.0018","75.774","0.0013","81.273","0.0014","84.329","0.0013","3319.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(ArDpme)Co(N4(C6H4-p-NMe2)2)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) bis(4-dimethylaminophenyl)tetrazene","","- C86.5 H81 Co N8 -","- C86.5 H81 Co N8 -","- C173 H162 Co2 N16 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.096","0.0584","","","0.152","0.1742","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118844","11.8393","0.0019","16.0454","0.0025","16.3923","0.0025","89.3622","0.0031","87.7742","0.0031","72.6584","0.0031","2970.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(ArDpme)Co(NtBu)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) tert-butylimide","","- C79 H70.33 Co N3 -","- C79 H70.332 Co N3 -","- C158 H140.664 Co2 N6 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.71073","MoKα","","0.093","0.0499","","","0.1056","0.1222","","","","","","1.01","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118845","11.7041","0.0013","16.763","0.002","17.822","0.002","70.312","0.002","70.894","0.002","78.788","0.002","3096.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ArDpmeCo(NH(C6H2-2,4-Me2)-6-CH2)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinato -5,7-dimethyl-2-cobalt(III)-metallacycloindoline","","- C81 H75 Co N3 O1.5 -","- C81 H75 Co N3 O1.5 -","- C162 H150 Co2 N6 O3 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.41328","synchrotron","","0.1095","0.0658","","","0.1645","0.1928","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118846","11.464","0.003","14.775","0.005","18.824","0.004","93.842","0.006","102.272","0.004","101.405","0.004","3034.2","1.5","373","2","373","2","","","","","","","","5","P -1","-P 1","2","ArDpmeCo(N4tBu2)","5-mesityl-1,9-bis(2,4,6-triphenylphenyl)dipyrrinatocobalt(III) di-tert-butyltetrazene","","- C78 H77 Co N6 O -","- C78 H77 Co N6 O -","- C156 H154 Co2 N12 O2 -","2","1","","Evan R. King; Graham T. Sazama; Theodore A. Betley","Co(III) Imidos Exhibiting Spin Crossover and C-H Bond Activation","Journal of the American Chemical Society","2012","134","","17858","17861","10.1021/ja307699u","","","0.41328","synchrotron","","0.1934","0.1122","","","0.2797","0.3127","","","","","","1.06","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118847","29.7963","0.0016","8.408","0.0005","21.7444","0.0011","90","","90","","90","","5447.6","0.5","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C23.5 H24 Cl F6 N4 O2 P Pt -","- C23.5 H24 Cl F6 N4 O2 P Pt -","- C188 H192 Cl8 F48 N32 O16 P8 Pt8 -","8","2","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0844","0.0657","","","0.1243","0.1345","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118848","9.8985","0.0012","15.6407","0.0019","14.4655","0.0018","90","","97.59","0.003","90","","2219.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N4 O3 Pt -","- C24 H27 N4 O3 Pt -","- C96 H108 N16 O12 Pt4 -","4","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0443","0.036","","","0.0621","0.0639","","","","","","1.186","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118849","8.8562","0.0013","10.4837","0.0019","16.091","0.003","81.251","0.017","75.385","0.017","66.316","0.013","1321.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N4 O4 Pt -","- C27 H35 N4 O4 Pt -","- C54 H70 N8 O8 Pt2 -","2","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0713","0.0601","","","0.1226","0.1275","","","","","","1.09","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118850","9.9464","0.0014","15.361","0.002","14.3","0.002","90","","97.978","0.003","90","","2163.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N4 O3 Pt -","- C23 H25 N4 O3 Pt -","- C92 H100 N16 O12 Pt4 -","4","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0501","0.0425","","","0.0743","0.0764","","","","","","1.27","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118851","8.97","0.0018","18.36","0.004","15.8","0.003","90","","91.34","0.005","90","","2601.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl4 N6 O2 Pt -","- C21 H25 Cl4 N6 O2 Pt -","- C84 H100 Cl16 N24 O8 Pt4 -","4","1","","Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada","NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion","Journal of the American Chemical Society","2012","134","","17866","17868","10.1021/ja308103g","","","0.7107","MoKα","","0.0719","0.0476","","","0.0932","0.1007","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118852","7.9721","0.0003","17.2319","0.0008","18.5026","0.0009","109.117","0.002","91.667","0.003","93.427","0.003","2394.12","0.19","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H60 S6 -","- C60 H60 S6 -","- C120 H120 S12 -","2","1","","Long Chen; Sreenivasa R. Puniredd; Yuan-Zhi Tan; Martin Baumgarten; Ute Zschieschang; Volker Enkelmann; Wojciech Pisula; Xinliang Feng; Hagen Klauk; Klaus Müllen","Hexathienocoronenes: Synthesis and Self-Organization","Journal of the American Chemical Society","2012","134","","17869","17872","10.1021/ja3082395","","","0.71073","MoKα","","0.097","0.0467","","0.0801","0.0554","0.0554","","","","","","1.1129","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118853","13.8948","0.0009","14.4076","0.0008","14.5193","0.0007","61.552","0.003","70.858","0.003","74.447","0.003","2392.3","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H60 S6 -","- C60 H60 S6 -","- C120 H120 S12 -","2","1","","Long Chen; Sreenivasa R. Puniredd; Yuan-Zhi Tan; Martin Baumgarten; Ute Zschieschang; Volker Enkelmann; Wojciech Pisula; Xinliang Feng; Hagen Klauk; Klaus Müllen","Hexathienocoronenes: Synthesis and Self-Organization","Journal of the American Chemical Society","2012","134","","17869","17872","10.1021/ja3082395","","","0.71073","MoKα","","0.1133","0.0693","","0.0822","0.0643","0.0643","","","","","","1.1112","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118854","7.9799","0.0002","17.2385","0.0006","18.5251","0.0006","109.097","0.0015","91.517","0.002","93.5899","0.0019","2400.39","0.13","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H60 S6 -","- C60 H60 S6 -","- C120 H120 S12 -","2","1","","Long Chen; Sreenivasa R. Puniredd; Yuan-Zhi Tan; Martin Baumgarten; Ute Zschieschang; Volker Enkelmann; Wojciech Pisula; Xinliang Feng; Hagen Klauk; Klaus Müllen","Hexathienocoronenes: Synthesis and Self-Organization","Journal of the American Chemical Society","2012","134","","17869","17872","10.1021/ja3082395","","","0.71073","MoKα","","0.095","0.0539","","0.0651","0.0613","0.0613","","","","","","1.1372","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118855","62.312","0.009","62.312","0.009","62.312","0.009","90","","90","","90","","241944","6","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C12 H24 Cu4 I4 N4 -","- C12 H20.4706 Cu4 I4 N4 -","- C1632 H2784 Cu544 I544 N544 -","136","0.708333","","Yao Kang; Fei Wang; Jian Zhang; Xianhui Bu","Luminescent MTN-Type Cluster-Organic Framework with 2.6 nm Cages","Journal of the American Chemical Society","2012","134","","17881","17884","10.1021/ja308801n","","","0.71073","MoKα","","0.1589","0.1079","","","0.2941","0.3337","","","","","","1.094","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118856","32.8634","0.0009","8.0309","0.0002","14.6844","0.0004","90","","97.328","0.001","90","","3843.89","0.18","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 F2 O2 -","- C12 H8 F2 O2 -","- C192 H128 F32 O32 -","16","2","","Simon N. Kessler; Markus Neuburger; Hermann A. Wegner","Domino Inverse Electron-Demand Diels-Alder/Cyclopropanation Reaction of Diazines Catalyzed by a Bidentate Lewis Acid","Journal of the American Chemical Society","2012","134","","17885","17888","10.1021/ja308858y","","","0.71073","MoKα","","0.0903","0.0625","","0.1668","0.0791","0.0642","","","","","","1.1864","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118857","7.9941","0.0002","8.7241","0.0003","8.9308","0.0003","85.784","0.002","70.323","0.002","81.371","0.002","579.66","0.03","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","","Simon N. Kessler; Markus Neuburger; Hermann A. Wegner","Domino Inverse Electron-Demand Diels-Alder/Cyclopropanation Reaction of Diazines Catalyzed by a Bidentate Lewis Acid","Journal of the American Chemical Society","2012","134","","17885","17888","10.1021/ja308858y","","","0.71073","MoKα","","0.0604","0.0396","","0.0807","0.0439","0.0407","","","","","","1.1138","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118858","7.4048","0.0002","17.3672","0.0004","17.951","0.0006","90","","95.847","0.001","90","","2296.5","0.11","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B2 N4 -","- C24 H30 B2 N4 -","- C96 H120 B8 N16 -","4","1","","Momar Toure; Olivier Chuzel; Jean-Luc Parrain","Asymmetric Rhodium-Directed anti-Markovnikov Regioselective Boracyclopentannulation","Journal of the American Chemical Society","2012","134","","17892","17895","10.1021/ja309018f","","x-ray","0.71073","MoKα","","0.1564","0.0933","","","0.2348","0.2742","","","","","","1.076","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118859","16.0455","0.0003","7.5096","0.0001","26.2686","0.0007","90","","90","","90","","3165.24","0.11","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 B N2 -","- C16 H23 B N2 -","- C128 H184 B8 N16 -","8","1","","Momar Toure; Olivier Chuzel; Jean-Luc Parrain","Asymmetric Rhodium-Directed anti-Markovnikov Regioselective Boracyclopentannulation","Journal of the American Chemical Society","2012","134","","17892","17895","10.1021/ja309018f","","x-ray","0.71073","MoKα","","0.1498","0.0855","","","0.2264","0.2769","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118860","13.2013","0.0007","14.5468","0.0007","14.6172","0.0007","90","","106.826","0.002","90","","2686.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H84 N2 Si4 -","- C52 H84 N2 Si4 -","- C104 H168 N4 Si8 -","2","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.0593","0.0444","","","0.0965","0.1031","","","","","","1.127","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118861","10.1004","0.0003","10.1085","0.0003","15.9835","0.0004","77.184","0.001","89.472","0.002","76.692","0.001","1547.02","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H31 N3 -","- C42 H31 N3 -","- C84 H62 N6 -","2","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.0601","0.0443","","","0.1088","0.1151","","","","","","1.364","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118862","47.9783","0.0016","47.9783","0.0016","16.4921","0.0007","90","","90","","120","","32877","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C70 H104 N4 Si4 -","- C70 H104 N4 Si4 -","- C1260 H1872 N72 Si72 -","18","1","","Aaron D. Finke; Oliver Dumele; Michal Zalibera; Daria Confortin; Pawel Cias; Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Georg Gescheidt; François Diederich","6,6-Dicyanopentafulvenes: Electronic Structure and Regioselectivity in [2 + 2] Cycloaddition-Retroelectrocyclization Reactions","Journal of the American Chemical Society","2012","134","","18139","18146","10.1021/ja309141r","","","0.71073","MoKα","","0.199","0.154","","","0.3991","0.416","","","","","","2.775","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118863","9.6156","0.0003","9.7142","0.0003","10.8697","0.0003","106.306","0.002","93.996","0.002","118.475","0.002","831.28","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C44 H34 N2 O4 -","2","1","","Nicolas Guimond; Christina Gouliaras; Keith Fagnou","Correction to Rhodium(III)-Catalyzed Isoquinolone Synthesis: The N-O Bond as a Handle for C-N Bond Formation and Catalyst Turnover","Journal of the American Chemical Society","2012","134","","18148","18148","10.1021/ja3096625","","","0.71073","MoKα","","0.0486","0.0394","","","0.1118","0.12","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118864","11.967","0.002","14.415","0.002","22.293","0.004","90","","92.789","0.007","90","","3841.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H71 N4 O4 P -","- C32 H71 N4 O4 P -","- C128 H284 N16 O16 P4 -","4","1","","Kevin J. T. Noonan; Kristina M. Hugar; Henry A. Kostalik; Emil B. Lobkovsky; Héctor D. Abruña; Geoffrey W. Coates","Phosphonium-Functionalized Polyethylene: A New Class of Base-Stable Alkaline Anion Exchange Membranes","Journal of the American Chemical Society","2012","134","","18161","18164","10.1021/ja307466s","","","0.71073","MoKα","","0.0683","0.047","","","0.129","0.1451","","","","","","1.03","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118865","24.34","0.002","5.8369","0.0004","21.6277","0.0013","90","","95.706","0.005","90","","3057.4","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C40 H41 N -","- C40 H41 N -","- C160 H164 N4 -","4","1","","Toan V. Pho; Jonathan D. Yuen; Joshua A. Kurzman; Braden G. Smith; Maosheng Miao; Wesley T. Walker; Ram Seshadri; Fred Wudl","N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors","Journal of the American Chemical Society","2012","134","","18185","18188","10.1021/ja3082582","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118866","5.54059","0.00016","10.0757","0.0004","10.3999","0.0004","97.848","0.003","100.309","0.003","90.16","0.003","565.63","0.04","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","1","1","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0303","0.0298","","","0.0846","0.0852","","","","","","1.079","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118867","5.91759","0.00003","11.50337","0.00005","24.58172","0.00011","90","","90","","90","","1673.33","0.013","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0246","0.0245","","","0.0671","0.0672","","","","","","1.042","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118868","5.94049","0.00007","31.6895","0.0003","10.02062","0.00007","90","","91.7156","0.0008","90","","1885.55","0.03","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","2","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0589","0.0574","","","0.169","0.1703","","","","","","1.059","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118869","7.2946","0.0003","13.3574","0.0005","22.0331","0.0009","90","","90","","90","","2146.84","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O4 Si -","- C21 H36 O4 Si -","- C84 H144 O16 Si4 -","4","1","","Jie Wu; Yi Pu; James S. Panek","Divergent Synthesis of Functionalized Carbocycles through Organosilane-Directed Asymmetric Alkyne-Alkene Reductive Coupling and Annulation Sequence","Journal of the American Chemical Society","2012","134","","18440","18446","10.1021/ja3083945","","","1.54184","CuKα","","0.0477","0.0394","","","0.0957","0.1","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118870","12.7662","0.0008","12.1448","0.0008","14.8497","0.001","90","","94.305","0.001","90","","2295.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F3 N2 O9 P Re S -","- C17 H17 F3 N2 O9 P Re S -","- C68 H68 F12 N8 O36 P4 Re4 S4 -","4","1","","Agustin E. Pierri; Alessia Pallaoro; Guang Wu; Peter C. Ford","A Luminescent and Biocompatible PhotoCORM","Journal of the American Chemical Society","2012","134","","18197","18200","10.1021/ja3084434","","","0.71073","MoKα","","0.0212","0.016","","","0.029","0.0296","","","","","","1.56","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118871","16.155","0.003","14.31","0.003","17.608","0.004","90","","94.99","0.02","90","","4055.2","1.5","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dimitry-171","","","- C37 H73 Li O2 Si3 -","- C37 H73 Li O2 Si3 -","- C148 H292 Li4 O8 Si12 -","4","1","","Lieby Zborovsky; Roman Dobrovetsky; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Synthesis of Silenyllithiums Li(R'3Si)Si=C(SiR3)(1-Ad) via Transient Silyne-Silylidene Intermediates","Journal of the American Chemical Society","2012","134","","18229","18232","10.1021/ja308777v","","","0.71073","MoKα","","0.1347","0.0615","","","0.1376","0.1571","","","","","","0.985","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118872","21.474","0.004","11.565","0.002","50.33","0.01","90","","92.25","0.01","90","","12490","4","240","1","240","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Dimitry-180","","","- C52 H109 Li3 O4 Si5 -","- C52 H109 Li3 O4 Si5 -","- C416 H872 Li24 O32 Si40 -","8","1","","Lieby Zborovsky; Roman Dobrovetsky; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Synthesis of Silenyllithiums Li(R'3Si)Si=C(SiR3)(1-Ad) via Transient Silyne-Silylidene Intermediates","Journal of the American Chemical Society","2012","134","","18229","18232","10.1021/ja308777v","","","0.71073","MoKα","","0.0908","0.0527","","","0.1354","0.144","","","","","","0.919","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118873","9.0651","0.0002","20.1439","0.0004","27.5076","0.0005","90","","90","","90","","5023.07","0.17","173.2","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O3 Si2 -","- C22 H38 O3 Si2 -","- C176 H304 O24 Si16 -","8","2","","Austin G. Smith; Huw M. L. Davies","Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates","Journal of the American Chemical Society","2012","134","","18241","18244","10.1021/ja3092399","","","1.54184","CuKα","","0.0312","0.0301","","","0.0762","0.077","","","","","","1.081","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118874","13.2013","0.0016","14.1841","0.0017","9.6256","0.0012","90","","123.066","0.001","90","","1510.5","0.3","173.2","","173.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","1","","Austin G. Smith; Huw M. L. Davies","Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates","Journal of the American Chemical Society","2012","134","","18241","18244","10.1021/ja3092399","","","0.71073","MoKα","","0.0398","0.0342","","","0.0839","0.0873","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118875","23.919","0.002","23.919","0.002","23.919","0.002","90","","90","","90","","13685","2","100","2","100","2","","","101.3","","","","","5","I -4 3 d","I -4bd 2c 3","220","tris(3,5-dimethylphenyl(tertbutyl)amido)-(eta-2-peroxo)-vanadium","tris(3,5-dimethylphenyl(tertbutyl)amido)-(eta-2-peroxo)-vanadium","","- C36 H54 N3 O2 V -","- C36 H54 N3 O1.98 V -","- C576 H864 N48 O31.68 V16 -","16","0.333333","","Anthony F. Cozzolino; Daniel Tofan; Christopher C. Cummins; Manuel Temprado; Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Burjor Captain; Carl D. Hoff","Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex","Journal of the American Chemical Society","2012","134","","18249","18252","10.1021/ja309621h","","x-ray","0.71073","MoKα","","0.0386","0.0319","","","0.0772","0.0826","","","","","","1.091","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118876","9.8729","0.0019","19.708","0.004","19.941","0.004","90","","90","","90","","3880","1.3","100","2","100","2","","","101.3","","","","","5","P 21 21 21","P 2ac 2ab","19","tert-butyl-acylimido Vanadium trisanilide","tris(3,5-dimethylphenyl(tertbutyl)amido)-(tertbutylacylimido)-Vanadium(V)","","- C41 H63 N4 O V -","- C41 H63 N4 O V -","- C164 H252 N16 O4 V4 -","4","1","","Anthony F. Cozzolino; Daniel Tofan; Christopher C. Cummins; Manuel Temprado; Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Burjor Captain; Carl D. Hoff","Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex","Journal of the American Chemical Society","2012","134","","18249","18252","10.1021/ja309621h","","x-ray","0.71073","MoKα","","0.0799","0.0622","","","0.1143","0.1211","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118877","20.879","0.008","7.466","0.003","24.181","0.008","90","","105.549","0.006","90","","3631","2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 N2 Ni2 S20 -","- C24 H12 N2 Ni2 S20 -","- C96 H48 N8 Ni8 S80 -","4","1","","Toshio Naito; Tomoaki Karasudani; Shigeki Mori; Keishi Ohara; Kensuke Konishi; Takahiro Takano; Yukihiro Takahashi; Tamotsu Inabe; Sadafumi Nishihara; Katsuya Inoue","Molecular Photoconductor with Simultaneously Photocontrollable Localized Spins","Journal of the American Chemical Society","2012","134","","18656","18666","10.1021/ja306260b","","","0.71075","MoKα","","","0.0841","","","","0.0897","","","","","","1.412","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118878","16.4064","0.0011","16.4064","0.0011","13.5188","0.0018","90","","90","","120","","3151.3","0.5","153","2","153","2","","","","","","","","5","P 63","P 6c","173","","","","- C7 H18 Br4 Fe N -","- C6.99975 H17.9993 Br4 Fe N -","- C55.998 H143.994 Br32 Fe8 N8 -","8","1.33333","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.1457","0.1378","","","0.4237","0.4495","","","","","","1.487","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118879","8.169","0.007","8.169","0.007","13.411","0.003","90","","90","","120","","775","1","203","2","203","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7 H17.94 Br4 Fe N -","- C14 H35.88 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.0591","0.0557","","","0.1594","0.1632","","","","","","1.146","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118880","8.267","0.002","8.267","0.002","13.524","0.002","90","","90","","120","","800.4","0.3","243","2","243","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7 H17.94 Br4 Fe N -","- C14 H35.88 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.0687","0.0612","","","0.1639","0.1712","","","","","","1.108","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118881","8.265","0.009","8.265","0.009","13.539","0.019","90","","90","","120","","800.9","1.7","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7.018 H17.97 Br4 Fe N -","- C14.036 H35.94 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.0738","0.0648","","","0.1638","0.1724","","","","","","1.103","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118882","8.344","0.009","8.344","0.009","13.67","0.02","90","","90","","120","","824.2","1.7","363","2","363","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C7 H18 Br4 Fe N -","- C7 H20.1 Br4 Fe N -","- C14 H40.2 Br8 Fe2 N2 -","2","0.166667","","Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong","Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)","Journal of the American Chemical Society","2012","134","","18487","18490","10.1021/ja3073319","","","0.71073","MoKα","","0.1064","0.0813","","","0.1869","0.2063","","","","","","1.139","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118883","8.7151","0.0007","10.1879","0.0011","14.983","0.002","76.556","0.004","73.339","0.005","66.602","0.004","1159","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H26 N2 O4 S3 -","- C21 H26 N2 O4 S3 -","- C42 H52 N4 O8 S6 -","2","2","","Hongli Bao; Uttam K. Tambar","Catalytic Enantioselective Allylic Amination of Unactivated Terminal Olefins via an Ene Reaction/[2,3]-Rearrangement","Journal of the American Chemical Society","2012","134","","18495","18498","10.1021/ja307851b","","","1.5418","CuKα","","0.0514","0.0386","","","0.0954","0.1178","","","","","","1.091","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118884","9.81","0.004","10.483","0.003","11.67","0.005","90","","102.286","0.0016","90","","1172.6","0.8","103.15","","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H20 O8 Ru -","- C26 H20 O8 Ru -","- C52 H40 O16 Ru2 -","2","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.0275","0.0257","","","0.0585","0.061","","","","","","1.162","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118885","7.705","0.003","13.954","0.005","19.299","0.007","90","","90","","90","","2074.9","1.3","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 Ru Si2 -","- C17 H24 O4 Ru Si2 -","- C68 H96 O16 Ru4 Si8 -","4","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.0409","0.037","","","0.0804","0.084","","","","","","1.092","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118886","20.173","0.012","11.033","0.007","23.394","0.014","90","0.003","94.187","0.003","90","0.003","5193","5","103.15","","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H71 Cl O4 P2 Ru -","- C61 H71 Cl O4 P2 Ru -","- C244 H284 Cl4 O16 P8 Ru4 -","4","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.1265","0.1081","","","0.1912","0.2002","","","","","","1.302","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118887","41.6","0.02","17.746","0.009","12.812","0.006","90","","102.235","0.007","90","","9243","8","93.15","","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H62 O P2 Ru -","- C55 H62 O P2 Ru -","- C440 H496 O8 P16 Ru8 -","8","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.71075","MoKα","","0.1071","0.0957","","","0.15","0.1547","","","","","","1.287","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118888","14.613","0.002","14.816","0.002","19.934","0.003","86.13","0.002","86.023","0.002","61.312","0.002","3774","0.9","90","","90","","","","","","","","","5","P -1","-P 1","2","Yb@Cs(6)-C82/NiOEP/2.0benzene","","","- C130 H56 N4 Ni Yb -","- C130 H56 N4 Ni Yb -","- C260 H112 N8 Ni2 Yb2 -","2","1","","Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka","Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)","Journal of the American Chemical Society","2012","134","","18772","18778","10.1021/ja308706d","","","0.71073","MoKα","","0.0753","0.0636","","","0.169","0.1762","","","","","","1.049","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118889","25.335","0.003","15.045","0.002","19.813","0.003","90","","94.27","0.002","90","","7531.1","1.8","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","Yb@C2(5)-C82/NiOEP/2benzene","","","- C130 H56 N4 Ni Yb -","- C130 H56 N4 Ni Yb0.98 -","- C520 H224 N16 Ni4 Yb3.92 -","4","0.5","","Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka","Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)","Journal of the American Chemical Society","2012","134","","18772","18778","10.1021/ja308706d","","","0.71073","MoKα","","0.0795","0.069","","","0.1894","0.2002","","","","","","1.034","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118890","25.264","0.004","15.169","0.002","19.869","0.003","90","","95.078","0.002","90","","7584.5","1.9","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","Yb@C2v(9)-C82/NiOEP/2(benzene)","","","- C130 H56 N4 Ni Yb -","- C130 H55.77 N4 Ni Yb0.85 -","- C520 H223.08 N16 Ni4 Yb3.4 -","4","0.5","","Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka","Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)","Journal of the American Chemical Society","2012","134","","18772","18778","10.1021/ja308706d","","","0.71073","MoKα","","0.0945","0.0857","","","0.2338","0.2421","","","","","","1.038","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118891","16.8303","0.0002","16.8303","0.0002","16.8303","0.0002","90","","90","","90","","4767.33","0.1","100","2","100.01","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C72 H72 N48 Zn12 -","12","0.25","","Olga Karagiaridi; Marianne B. Lalonde; Wojciech Bury; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp","Opening ZIF-8: A Catalytically Active Zeolitic Imidazolate Framework of Sodalite Topology with Unsubstituted Linkers","Journal of the American Chemical Society","2012","134","","18790","18796","10.1021/ja308786r","","","1.54184","CuKα","","0.0269","0.0269","","","0.0698","0.0698","","","","","","1.097","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118892","16.8303","0.0002","16.8303","0.0002","16.8303","0.0002","90","","90","","90","","4767.33","0.1","100","2","100.01","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C6.3 H6.6 N4 Zn -","- C6.3 H6.65 N4 Zn -","- C75.6 H79.8 N48 Zn12 -","12","0.25","","Olga Karagiaridi; Marianne B. Lalonde; Wojciech Bury; Amy A. Sarjeant; Omar K. Farha; Joseph T. Hupp","Opening ZIF-8: A Catalytically Active Zeolitic Imidazolate Framework of Sodalite Topology with Unsubstituted Linkers","Journal of the American Chemical Society","2012","134","","18790","18796","10.1021/ja308786r","","","1.54184","CuKα","","0.0261","0.0261","","","0.0618","0.0618","","","","","","1.124","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118893","9.398","0.0012","6.1397","0.0008","11.6079","0.0016","90","","109.978","0.004","90","","629.48","0.14","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Michael W. Lodewyk; Cristian Soldi; Paul B. Jones; Marilyn M. Olmstead; Juan Rita; Jared T. Shaw; Dean J. Tantillo","The Correct Structure of Aquatolide-Experimental Validation of a Theoretically-Predicted Structural Revision","Journal of the American Chemical Society","2012","134","","18550","18553","10.1021/ja3089394","","","1.54178","CuKα","","0.028","0.0268","","","0.0709","0.0712","","","","","","1.056","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118894","22.618","0.005","22.618","0.005","8.397","0.005","90","0.005","90","0.005","90","0.005","4296","3","293","2","293","2","","","","","","","","3","I -4","I -4","82","(C5Me5)2Dy(allyl)","","","- C23 H35 Dy -","- C23 H35 Dy -","- C184 H280 Dy8 -","8","1","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71069","MoKα","","0.0147","0.0146","","","0.0362","0.0362","","","","","","1.074","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118895","11.1325","0.0004","28.0382","0.0008","13.2787","0.0005","90","","98.017","0.001","90","","4104.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(C5Me5)2Dy(BPh4)*C7H8","","","- C51 H58 B Dy -","- C51 H58 B Dy -","- C204 H232 B4 Dy4 -","4","2","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.016","0.0157","","","0.0369","0.037","","","","","","1.038","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118896","22.7164","0.0006","22.7164","0.0006","8.3647","0.0003","90","","90","","90","","4316.5","0.2","100","2","100","2","","","","","","","","3","I -4","I -4","82","(C5Me5)2Tb(allyl)","","","- C23 H35 Tb -","- C23 H35 Tb -","- C184 H280 Tb8 -","8","1","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0316","0.0276","","","0.0822","0.0872","","","","","","0.705","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118897","11.1431","0.0013","28.072","0.004","13.2834","0.0016","90","","98.086","0.006","90","","4113.9","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(C5Me5)2Tb(BPh4)*C7H8","","","- C51 H58 B Tb -","- C51 H58 B Tb -","- C204 H232 B4 Tb4 -","4","2","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0219","0.0209","","","0.0445","0.045","","","","","","1.027","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118898","11.0113","0.0007","28.5299","0.0019","24.1865","0.0016","90","","100.965","0.003","90","","7459.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[(C5Me5)2Tb]2(bipym)}(BPh4)","","","- C72 H86 B N4 Tb2 -","- C72 H86 B N4 Tb2 -","- C288 H344 B4 N16 Tb8 -","4","0.5","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0817","0.061","","","0.1113","0.1227","","","","","","1.172","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118899","10.9915","0.0004","28.5352","0.001","24.1672","0.0007","90","","100.915","0.002","90","","7442.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[(C5Me5)2Dy]2(bipym)}(BPh4)","","","- C72 H86 B Dy2 N4 -","- C72 H86 B Dy2 N4 -","- C288 H344 B4 Dy8 N16 -","4","0.5","","Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long","Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes","Journal of the American Chemical Society","2012","134","","18546","18549","10.1021/ja308945d","","","0.71073","MoKα","","0.0673","0.0488","","","0.0923","0.0986","","","","","","1.084","","","","has coordinates,has disorder","178959","2020-10-21","18:00:00",""
"4118900","11.163","0.006","12.201","0.006","13.562","0.007","90","","94.723","0.006","90","","1840.9","1.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H36 N3 O5 P -","- C42 H36 N3 O5 P -","- C84 H72 N6 O10 P2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71073","MoKα","","0.0546","0.0454","","","0.1076","0.1119","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118901","9.539","0.0004","11.3726","0.0004","17.4102","0.0007","97.8624","0.0005","93.3019","0.0005","111.449","0.0004","1729.48","0.12","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H38 N3 O4 P -","- C41 H38 N3 O4 P -","- C82 H76 N6 O8 P2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71073","MoKα","","0.0535","0.0395","","","0.0935","0.1013","","","","","","1.022","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118902","12.9114","0.0015","14.344","0.002","15.129","0.002","73.225","0.003","65.051","0.002","69.261","0.003","2343.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 N3 O2 P Si -","- C47 H52 N3 O3 P Si -","- C94 H104 N6 O6 P2 Si2 -","2","1","","Xiao Wang; Xiaolei Wang; Xianghui Tan; Jianming Lu; Kevin W. Cormier; Zhiqiang Ma; Chuo Chen","A Biomimetic Route for Construction of the [4+2] and [3+2] Core Skeletons of Dimeric Pyrrole-Imidazole Alkaloids and Asymmetric Synthesis of Ageliferins","Journal of the American Chemical Society","2012","134","","18834","18842","10.1021/ja309172t","","","0.71075","MoKα","","0.1298","0.0875","","","0.1963","0.2144","","","","","","1.055","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118903","10.6092","0.0014","12.5906","0.0017","21.136","0.003","99.091","0.002","97.712","0.002","106.374","0.001","2626.7","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H51 Cl2 Fe2 N O2 P4 S2 -","- C57 H51 Cl2 Fe2 N O2 P4 S2 -","- C114 H102 Cl4 Fe4 N2 O4 P8 S4 -","2","1","","Maria E. Carroll; Bryan E. Barton; Thomas B. Rauchfuss; Patrick J. Carroll","Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate","Journal of the American Chemical Society","2012","134","","18843","18852","10.1021/ja309216v","","","0.71073","MoKα","","0.0559","0.044","","","0.1149","0.1217","","","","","","0.949","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118904","15.328","0.004","22.073","0.005","18.286","0.004","90","","100.021","0.003","90","","6092","2","193","1","193","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 B2 F8 Fe2 N O2 P4 S2 -","- C56 H51 B2 F8 Fe2 N O2 P4 S2 -","- C224 H204 B8 F32 Fe8 N4 O8 P16 S8 -","4","1","","Maria E. Carroll; Bryan E. Barton; Thomas B. Rauchfuss; Patrick J. Carroll","Synthetic Models for the Active Site of the [FeFe]-Hydrogenase: Catalytic Proton Reduction and the Structure of the Doubly Protonated Intermediate","Journal of the American Chemical Society","2012","134","","18843","18852","10.1021/ja309216v","","","0.71073","MoKα","","0.0979","0.0578","","","0.1308","0.1473","","","","","","0.988","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118905","5.657","0.003","9.558","0.005","10.914","0.006","111.971","0.008","98.331","0.009","104.655","0.009","510.2","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C21 H23 N O5 S -","1","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.062","0.0533","","","0.0948","0.098","","","","","","0.932","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118906","10.085","0.003","5.6029","0.0018","14.674","0.005","90","","103.61","0.006","90","","805.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C38 H40 O6 S2 -","2","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0933","0.058","","","0.0932","0.1023","","","","","","0.806","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118907","5.496","0.002","13.106","0.005","19.157","0.008","90","","90","","90","","1379.9","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0831","0.0546","","","0.0787","0.0848","","","","","","0.845","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118908","11.688","0.004","12.115","0.004","19.217","0.005","90","","118.581","0.016","90","","2389.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H124 N4 O20 S4 -","- C100 H124 N4 O20 S4 -","- C100 H124 N4 O20 S4 -","1","0.25","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0658","0.0465","","","0.1156","0.127","","","","","","0.721","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118909","10.3044","0.0008","9.1172","0.0007","27.235","0.002","90","","90","","90","","2558.7","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H15 Cl N2 O4 -","- C12 H15 Cl N2 O4 -","- C96 H120 Cl8 N16 O32 -","8","1","","Allison K. Griffith; Christine M. Vanos; Tristan H. Lambert","Organocatalytic Carbonyl-Olefin Metathesis","Journal of the American Chemical Society","2012","134","","18581","18584","10.1021/ja309650u","","","0.71073","MoKα","","0.063","0.0496","","","0.1357","0.1465","","","","","","1.035","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118910","8.652","0.004","14.984","0.008","19.066","0.01","90.829","0.007","102.188","0.007","94.639","0.008","2407","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H19 Br Cl2 N4 O5 Ru S -","- C19 H19 Br Cl2 N4 O5 Ru S -","- C76 H76 Br4 Cl8 N16 O20 Ru4 S4 -","4","2","","Lei Wang; Lele Duan; Beverly Stewart; Maoping Pu; Jianhui Liu; Timofei Privalov; Licheng Sun","Toward Controlling Water Oxidation Catalysis: Tunable Activity of Ruthenium Complexes with Axial Imidazole/DMSO Ligands","Journal of the American Chemical Society","2012","134","","18868","18880","10.1021/ja309805m","","","0.71073","MoKα","","0.1889","0.0912","","","0.1975","0.2473","","","","","","0.99","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118911","24.99","0.004","24.99","0.004","13.0478","0.0016","90","","90","","120","","7056.7","1.8","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H16 N9 O2.5 Zn -","- C9 H15 N9 O2.50333 Zn -","- C162 H270 N162 O45.06 Zn18 -","18","1","","Ping Cui; Yu-Guang Ma; Huan-Huan Li; Bin Zhao; Jian-Rong Li; Peng Cheng; Perla B. Balbuena; Hong-Cai Zhou","Multipoint Interactions Enhanced CO2 Uptake: A Zeolite-like Zinc-Tetrazole Framework with 24-Nuclear Zinc Cages","Journal of the American Chemical Society","2012","134","","18892","18895","10.1021/ja3063138","","","0.71073","MoKα","","0.07","0.0498","","","0.1499","0.1555","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118912","22.1794","0.0018","13.6101","0.001","29.949","0.002","90","","96.671","0.005","90","","8979.3","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H80 F24 N8 O8 P4 S10 -","- C74 H80 F24 N8 O8 P4 S10 -","- C296 H320 F96 N32 O32 P16 S40 -","4","0.5","","Cheng Wang; Scott M. Dyar; Dennis Cao; Albert C. Fahrenbach; Noah Horwitz; Michael T. Colvin; Raanan Carmieli; Charlotte L. Stern; Sanjeev K. Dey; Michael R. Wasielewski; J. Fraser Stoddart","Tetrathiafulvalene Hetero Radical Cation Dimerization in a Redox-Active [2]Catenane","Journal of the American Chemical Society","2012","134","","19136","19145","10.1021/ja307577t","","","1.54178","CuKα","","0.0996","0.0857","","","0.2291","0.2401","","","","","","1.065","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118913","9.7107","0.0019","10.184","0.002","10.296","0.002","84.96","0.03","88.3","0.03","68.13","0.03","941.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 O P S -","- C24 H17 O P S -","- C48 H34 O2 P2 S2 -","2","1","","Chunmiao Han; Zhensong Zhang; Hui Xu; Shouzhen Yue; Jing Li; Pingrui Yan; Zhaopeng Deng; Yi Zhao; Pengfei Yan; Shiyong Liu","Short-Axis Substitution Approach Selectively Optimizes Electrical Properties of Dibenzothiophene-Based Phosphine Oxide Hosts","Journal of the American Chemical Society","2012","134","","19179","19188","10.1021/ja308273y","","","0.71073","MoKα","","0.0699","0.0496","","","0.1232","0.1432","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118914","14.708","0.0005","12.1509","0.0005","16.1933","0.0005","90","","91.299","0.003","90","","2893.25","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 O2 P2 S -","- C36 H26 O2 P2 S -","- C144 H104 O8 P8 S4 -","4","1","","Chunmiao Han; Zhensong Zhang; Hui Xu; Shouzhen Yue; Jing Li; Pingrui Yan; Zhaopeng Deng; Yi Zhao; Pengfei Yan; Shiyong Liu","Short-Axis Substitution Approach Selectively Optimizes Electrical Properties of Dibenzothiophene-Based Phosphine Oxide Hosts","Journal of the American Chemical Society","2012","134","","19179","19188","10.1021/ja308273y","","","0.71073","MoKα","","0.0661","0.0444","","","0.1061","0.1152","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118915","13.08228","0.00015","23.1771","0.0003","26.3615","0.0003","90","","90","","90","","7993.05","0.17","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cl Cu F20 N4 -","- C42 H18 B Cl Cu F20 N4 -","- C336 H144 B8 Cl8 Cu8 F160 N32 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0525","0.0305","","","0.0665","0.0699","","","","","","0.932","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118916","13.3059","0.0002","22.9396","0.0005","26.0492","0.0007","90","","90","","90","","7951.1","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cu F20 N5 O2 -","- C42 H18 B Cu F20 N5 O2 -","- C336 H144 B8 Cu8 F160 N40 O16 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0428","0.0317","","","0.0784","0.0833","","","","","","1.034","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118917","5.8661","0.0012","25.627","0.005","12.819","0.003","90","","98.922","0.003","90","","1903.8","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H39 Br3 O8 -","- C40 H39 Br3 O8 -","- C80 H78 Br6 O16 -","2","1","","Yalan Xing; Sudhir M. Hande; Yoshito Kishi","Photochemistry of Mycolactone A/B, the Causative Toxin of Buruli Ulcer","Journal of the American Chemical Society","2012","134","","19234","19239","10.1021/ja309215m","","","0.71073","MoKα","","0.054","0.0381","","","0.0564","0.0602","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118918","14.9058","0.0003","15.048","0.0003","38.4984","0.0007","90","","93.6286","0.0008","90","","8618","0.3","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C107 H119 O2 -","- C107 H119 O2 -","- C428 H476 O8 -","4","1","","Xiaozhang Zhu; Hayato Tsuji; Juan T. López Navarrete; Juan Casado; Eiichi Nakamura","Carbon-Bridged Oligo(phenylenevinylene)s: Stable π-Systems with High Responsiveness to Doping and Excitation","Journal of the American Chemical Society","2012","134","","19254","19259","10.1021/ja309318s","","","1.54187","CuKα","","0.157","0.0725","","","0.1766","0.2227","","","","","","1.017","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118919","9.329","0.002","28.097","0.006","10.961","0.002","90","","110.247","0.003","90","","2695.5","1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 Fe2 O2 P4 S2 -","- C16 H40 Fe2 O2 P4 S2 -","- C64 H160 Fe8 O8 P16 S8 -","4","1","","Riccardo Zaffaroni; Thomas B. Rauchfuss; Danielle L. Gray; Luca De Gioia; Giuseppe Zampella","Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4","Journal of the American Chemical Society","2012","134","","19260","19269","10.1021/ja3094394","","","0.71073","MoKα","","0.0577","0.0346","","","0.0713","0.08","","","","","","1.004","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118920","13.4446","0.0016","32.134","0.004","16.0011","0.0019","90","","91.131","0.002","90","","6911.6","1.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H60 Fe2 O2 P4 S2 -","- C17 H42 Fe2 O2 P4 S2 -","- C136 H336 Fe16 O16 P32 S16 -","8","2","","Riccardo Zaffaroni; Thomas B. Rauchfuss; Danielle L. Gray; Luca De Gioia; Giuseppe Zampella","Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4","Journal of the American Chemical Society","2012","134","","19260","19269","10.1021/ja3094394","","","0.71073","MoKα","","0.0666","0.0434","","","0.0965","0.1031","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118921","17.4367","0.0006","18.2764","0.0006","19.3539","0.0006","90","","92.036","0.002","90","","6163.8","0.4","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 B F24 Fe2 N O2 P4 S2 -","- C48 H54 B F23.976 Fe2 N O2 P4 S2 -","- C192 H216 B4 F95.904 Fe8 N4 O8 P16 S8 -","4","1","","Riccardo Zaffaroni; Thomas B. Rauchfuss; Danielle L. Gray; Luca De Gioia; Giuseppe Zampella","Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4","Journal of the American Chemical Society","2012","134","","19260","19269","10.1021/ja3094394","","","1.54178","CuKα","","0.059","0.0479","","","0.1189","0.1253","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118922","23.102","0.005","23.102","0.005","59.977","0.005","90","0.005","90","0.005","120","0.005","27721","9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C222 H168 N32 O67 Zn8 -","- C222 H168 N32 O67 Zn8 -","- C666 H504 N96 O201 Zn24 -","3","0.166667","","Susan Sen; Nisanth N. Nair; Teppei Yamada; Hiroshi Kitagawa; Parimal K. Bharadwaj","High Proton Conductivity by a Metal-Organic Framework Incorporating Zn8O Clusters with Aligned Imidazolium Groups Decorating the Channels","Journal of the American Chemical Society","2012","134","","19432","19437","10.1021/ja3076378","","","0.71069","MoKα","","0.1372","0.0846","","","0.2255","0.25","","","","","","0.885","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118923","18.2508","0.0004","19.216","0.0005","20.1901","0.0014","84.8","0.006","63.27","0.005","72.872","0.005","6036.4","0.6","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","- C242 H176 Cl4 F18 Ir6 N24 O19 S6 -","1","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","0.0588","0.0523","","","0.1298","0.1341","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118924","10.0039","0.0019","12.557","0.003","29.038","0.006","90","","90","","90","","3647.7","1.3","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Cl2 Ir2 N4 -","- C44 H32 Cl2 Ir2 N4 -","- C176 H128 Cl8 Ir8 N16 -","4","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","","0.0255","","","","0.0537","","","","","","0.939","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118925","9.9782","0.0017","12.56","0.002","29.008","0.005","90","","90","","90","","3635.5","1.1","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Cl2 Ir2 N4 -","- C44 H32 Cl2 Ir2 N4 -","- C176 H128 Cl8 Ir8 N16 -","4","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","","0.0314","","","","0.0752","","","","","","0.996","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118926","41.4417","0.0011","41.4417","0.0011","41.4417","0.0011","90","","90","","90","","71173","3","200","2","200","2","","","","","","","","7","F m -3","-F 2 2 3","202","","","","- C86 H456 Mo84 N2.5 Na43.5 O416 S48 -","- C48 H72 Mo84 Na7.92 O298.48 S48 -","- C192 H288 Mo336 Na31.68 O1193.92 S192 -","4","0.0416667","","Fatma Bannani; Sébastien Floquet; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulelle; Jérôme Marrot; Paul Kögerler; Emmanuel Cadot","Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units","Journal of the American Chemical Society","2012","134","","19342","19345","10.1021/ja309302y","","","0.71073","MoKα","","0.1049","0.0618","","","0.1686","0.1897","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118927","64.949","0.004","64.949","0.004","77.695","0.005","90","","90","","120","","283837","3","150","2","150","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C52 H831 Mo132 N9.5 Na17.5 O694 S60 -","- C31.5 H48.75 Mo132 O444 S60 -","- C378 H585 Mo1584 O5328 S720 -","12","0.333333","","Fatma Bannani; Sébastien Floquet; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulelle; Jérôme Marrot; Paul Kögerler; Emmanuel Cadot","Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units","Journal of the American Chemical Society","2012","134","","19342","19345","10.1021/ja309302y","","","0.71073","MoKα","","0.2105","0.0795","","","0.2005","0.237","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118928","48.04","0.003","9.2092","0.0006","31.412","0.002","90","","125.79","0.001","90","","11272.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118 H160 N2 O P4 Pt2 -","- C114 H152 N2 P4 Pt2 -","- C456 H608 N8 P16 Pt8 -","4","0.5","","Galyna G. Dubinina; Randi S. Price; Khalil A. Abboud; Geoffrey Wicks; Pawel Wnuk; Yuriy Stepanenko; Mikhail Drobizhev; Aleksander Rebane; Kirk S. Schanze","Phenylene Vinylene Platinum(II) Acetylides with Prodigious Two-Photon Absorption","Journal of the American Chemical Society","2012","134","","19346","19349","10.1021/ja309393c","","","0.71073","MoKα","","0.0416","0.0324","","","0.0786","0.0823","","","","","","1.063","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118929","11.5432","0.0004","12.7958","0.0006","9.2771","0.0004","90","","90","","90","","1370.27","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Cl3 Fe N O -","- C9 H18 Cl3 Fe N O -","- C36 H72 Cl12 Fe4 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0218","0.0193","","","0.0518","0.0537","","","","","","1.061","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118930","11.5381","0.0005","12.7464","0.0006","9.2803","0.0004","90","","90","","90","","1364.85","0.11","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Al Cl3 N O -","- C9 H18 Al Cl3 N O -","- C36 H72 Al4 Cl12 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0241","0.0212","","","0.0559","0.0579","","","","","","1.039","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118931","11.5724","0.0003","12.7487","0.0003","9.3096","0.0002","90","","90","","90","","1373.47","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Cl3 Fe N O -","- C9 H19 Cl3 Fe N O -","- C36 H76 Cl12 Fe4 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0201","0.017","","","0.0498","0.0517","","","","","","1.054","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118932","11.5552","0.0002","12.7108","0.0002","9.2728","0.0002","90","","90","","90","","1361.95","0.04","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Al Cl3 N O -","- C9 H19 Al Cl3 N O -","- C36 H76 Al4 Cl12 N4 O4 -","4","0.5","","Jeremiah J. Scepaniak; Ashley M. Wright; Richard A. Lewis; Guang Wu; Trevor W. Hayton","Tuning the Reactivity of TEMPO by Coordination to a Lewis Acid: Isolation and Reactivity of MCl3(η1-TEMPO) (M = Fe, Al)","Journal of the American Chemical Society","2012","134","","19350","19353","10.1021/ja309499h","","","0.71073","MoKα","","0.0241","0.0202","","","0.0553","0.0574","","","","","","1.076","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118933","10.5187","0.0011","13.024","0.0014","16.1258","0.0017","90","","90","","90","","2209.2","0.4","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N2 O4 P -","- C24 H25 N2 O4 P -","- C96 H100 N8 O16 P4 -","4","1","","Masashi Hayashi; Noriyuki Shiomi; Yasuhiro Funahashi; Shuichi Nakamura","Cinchona Alkaloid Amides/Dialkylzinc Catalyzed Enantioselective Desymmetrization of Aziridines with Phosphites","Journal of the American Chemical Society","2012","134","","19366","19369","10.1021/ja309963w","","","0.7107","MoKα","","","0.0321","","","","0.0972","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118934","10.008","0.003","10.996","0.003","30.926","0.01","90","","90","","90","","3403.3","1.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 Cl N2 O6 -","- C38 H39 Cl N2 O6 -","- C152 H156 Cl4 N8 O24 -","4","1","","Daisuke Uraguchi; Ken Yoshioka; Yusuke Ueki; Takashi Ooi","Highly Regio-, Diastereo-, and Enantioselective 1,6- and 1,8-Additions of Azlactones to Di- and Trienyl N-Acylpyrroles","Journal of the American Chemical Society","2012","134","","19370","19373","10.1021/ja310209g","","","0.71075","MoKα","","0.0927","0.0667","","","0.1619","0.1871","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118935","9.0079","0.0008","6.43969","0.0002","5.16525","0.00018","90","","88.942","0.006","90","","299.58","0.03","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Cu-sidorenkite","","","- C Cu Na3 O7 P -","- C Cu Na3 O7 P -","- C2 Cu2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","2.2897","","","","","","","","","","","1.99","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118936","8.89282","0.00022","6.61758","0.00009","5.1456","0.00007","90","","89.4853","0.0017","90","","302.801","0.009","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Co-sidorenkite","","","- C Co Na3 O7 P -","- C Co Na3 O7 P -","- C2 Co2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.54","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118937","8.82621","0.00009","6.586832","0.000027","5.127293","0.000029","90","","89.2669","0.0007","90","","298.06","0.004","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Ni-sidorenkite","","","- C Na3 Ni O7 P -","- C Na3 Ni O7 P -","- C2 Na6 Ni2 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.32","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118938","8.98593","0.00011","6.73577","0.00005","5.15998","0.00004","90","","90.1225","0.0012","90","","312.318","0.005","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","sidorenkite","","","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","2.4","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118939","8.82663","0.00029","6.61646","0.00009","5.15605","0.0001","90","","89.6919","0.0025","90","","301.114","0.012","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Mg-sidorenkite","","","- C Mg Na3 O7 P -","- C Mg Na3 O7 P -","- C2 Mg2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","2.2897","","","","","","","","","","","1.85","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118940","8.95419","0.00013","6.61129","0.00005","5.16023","0.00005","90","","89.6001","0.0013","90","","305.472","0.006","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","Fe-sidorenkite","","","- C Fe Na3 O7 P -","- C Fe Na3 O7 P -","- C2 Fe2 Na6 O14 P2 -","2","0.5","","Hailong Chen; Geoffroy Hautier; Gerbrand Ceder","Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates","Journal of the American Chemical Society","2012","134","","19619","19627","10.1021/ja3040834","powder diffraction","","0.775192","","","","","","","","","","","1.83","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118941","16.825","0.003","8.4463","0.0015","8.3432","0.0014","90","","97.942","0.004","90","","1174.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C13 H10 N O2 P -","- C13 H10 N O2 P -","- C52 H40 N4 O8 P4 -","4","1","","Jesús García López; Antonio Morán Ramallal; Javier González; Laura Roces; Santiago García-Granda; María José Iglesias; Pascual Oña-Burgos; Fernando López Ortiz","Mechanisms of Stereomutation and Thermolysis of Spiro-1,2-oxaphosphetanes: New Insights into the Second Step of the Wittig Reaction","Journal of the American Chemical Society","2012","134","","19504","19507","10.1021/ja307330c","","x-ray","0.71073","MoKα","","0.0667","0.0517","","","0.1208","0.146","","","","","","1.012","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118942","12.427","0.004","11.154","0.004","15.751","0.005","90","","105.241","0.009","90","","2106.5","1.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N O2 P -","- C25 H30 N O2 P -","- C100 H120 N4 O8 P4 -","4","1","","Jesús García López; Antonio Morán Ramallal; Javier González; Laura Roces; Santiago García-Granda; María José Iglesias; Pascual Oña-Burgos; Fernando López Ortiz","Mechanisms of Stereomutation and Thermolysis of Spiro-1,2-oxaphosphetanes: New Insights into the Second Step of the Wittig Reaction","Journal of the American Chemical Society","2012","134","","19504","19507","10.1021/ja307330c","","x-ray","0.71073","MoKα","","0.135","0.078","","","0.1414","0.1623","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118943","34.181","0.005","30.283","0.005","23.229","0.005","90","0.005","123.959","0.005","90","0.005","19943","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Cs10.5 H65.5 K4 O196 Si4 Ta16 W36 -","- Cs10.5 K4 O186.3 Si4 Ta16 W36 -","- Cs42 K16 O745.2 Si16 Ta64 W144 -","4","0.5","","Shujun Li; Shumei Liu; Shuxia Liu; Yiwei Liu; Qun Tang; Zhan Shi; Shuxin Ouyang; Jinhua Ye","{Ta12}/{Ta16} Cluster-Containing Polytantalotungstates with Remarkable Photocatalytic H2 Evolution Activity","Journal of the American Chemical Society","2012","134","","19716","19721","10.1021/ja307484a","","","0.71069","MoKα","","0.1342","0.0671","","","0.1659","0.1891","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118944","18.245","0.009","18.245","0.009","27.49","0.016","90","","90","","120","","7925","7","296","2","296","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- Cs3 H18.5 K3.5 O52 Si Ta3 W9 -","- Cs3 K3.5 O46.75 Si Ta3 W9 -","- Cs18 K21 O280.5 Si6 Ta18 W54 -","6","0.166667","","Shujun Li; Shumei Liu; Shuxia Liu; Yiwei Liu; Qun Tang; Zhan Shi; Shuxin Ouyang; Jinhua Ye","{Ta12}/{Ta16} Cluster-Containing Polytantalotungstates with Remarkable Photocatalytic H2 Evolution Activity","Journal of the American Chemical Society","2012","134","","19716","19721","10.1021/ja307484a","","","0.71073","MoKα","","0.0528","0.0458","","","0.1213","0.1246","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118945","14.26","0.0017","14.26","0.0017","41.443","0.008","90","","90","","120","","7298.3","1.9","45","2","45","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8 H14 Fe2 N O12 -","- C144 H252 Fe36 N18 O216 -","18","0.5","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","1.1675","neutron","","0.0453","0.037","","","0.0676","0.0703","","","","","","1.088","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118946","8.255","0.0012","8.255","0.0012","13.891","0.003","90","","90","","120","","819.8","0.2","220","2","220","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","","neutron","","0.2406","0.18","","","0.2635","0.2777","","","","","","1.513","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118947","8.2485","0.0002","8.2485","0.0002","13.8542","0.0005","90","","90","","120","","816.32","0.04","175","2","175","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H13.98 Fe2 N0.99 O12 -","- C16 H27.96 Fe4 N1.98 O24 -","2","0.166667","","Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal","The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework","Journal of the American Chemical Society","2012","134","","19772","19781","10.1021/ja3082457","","neutron","0.948","neutron","","0.0497","0.0389","","","0.083","0.0875","","","","","","1.062","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118948","22.556","","22.556","","3.4","","90","","90","","120","","1498.08","","","","","","","","","","","","see text","4","P 6/m","-P 6","175","","","","- C6 H4 N O -","- C6 H4 N O -","- C36 H24 N6 O6 -","6","0.5","","Sharath Kandambeth; Arijit Mallick; Binit Lukose; Manoj V. Mane; Thomas Heine; Rahul Banerjee","Construction of Crystalline 2D Covalent Organic Frameworks with Remarkable Chemical (Acid/Base) Stability via a Combined Reversible and Irreversible Route","Journal of the American Chemical Society","2012","134","","19524","19527","10.1021/ja308278w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118949","22.506","","22.506","","3.5","","90","","90","","120","","1535.31","","","","","","","","","","","","see text","4","P 6/m","-P 6","175","","","","- C7 H6 N O -","- C7 H6 N O -","- C42 H36 N6 O6 -","6","0.5","","Sharath Kandambeth; Arijit Mallick; Binit Lukose; Manoj V. Mane; Thomas Heine; Rahul Banerjee","Construction of Crystalline 2D Covalent Organic Frameworks with Remarkable Chemical (Acid/Base) Stability via a Combined Reversible and Irreversible Route","Journal of the American Chemical Society","2012","134","","19524","19527","10.1021/ja308278w","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118950","7.0714","0.0002","7.1363","0.0002","25.0858","0.0008","92.515","0.002","92.582","0.002","90.047","0.002","1263.41","0.06","99","2","99","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C68 H48 O8 -","4","2","","Suwei Dong; Tian Qin; Ernest Hamel; John A. Beutler; John A. Porco","Synthesis of Chamaecypanone C Analogues fromin Situ-Generated Cyclopentadienones and Their Biological Evaluation","Journal of the American Chemical Society","2012","134","","19782","19787","10.1021/ja3084708","","","1.54178","CuKα","","0.0596","0.05","","","0.1349","0.1426","","","","","","1.03","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118951","30.0265","0.0011","30.0265","0.0011","7.7081","0.0004","90","","90","","120","","6018.5","0.4","293","2","293","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C23 H19 Cl2 N4 O4 Zn -","- C23 H19 Cl2 N4 O4 Zn -","- C138 H114 Cl12 N24 O24 Zn6 -","6","0.5","","Guo-Qiang Kong; Sha Ou; Chao Zou; Chuan-De Wu","Assembly and Post-Modification of a Metal-Organic Nanotube for Highly Efficient Catalysis","Journal of the American Chemical Society","2012","134","","19851","19857","10.1021/ja309158a","","","1.54178","CuKα","","0.1026","0.0754","","","0.1801","0.1987","","","","","","1.075","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118952","21.4198","0.0008","21.4198","0.0008","17.4178","0.0008","90","","90","","120","","6920.8","0.5","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Co Cr N4 O4 -","- C24 H20 Co Cr N4 O4 -","- C216 H180 Co9 Cr9 N36 O36 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0589","0.0488","","","0.1197","0.1257","","","","","","1.047","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118953","21.1759","0.0003","21.1759","0.0003","17.4734","0.0003","90","","90","","120","","6785.66","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Cr N4 Ni O9.17 -","- C24 H20 Cr N4 Ni O9.17333 -","- C216 H180 Cr9 N36 Ni9 O82.56 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0348","0.0327","","","0.0883","0.0891","","","","","","1.083","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118954","21.3191","0.0003","21.3191","0.0003","17.925","0.0003","90","","90","","120","","7055.5","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C25.33 H20 Co Mo N4.67 O9.36 -","- C25.32 H20 Co Mo N4.66667 O9.359 -","- C227.88 H180 Co9 Mo9 N42 O84.231 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","1.54178","CuKα","","0.0251","0.0241","","","0.0573","0.0577","","","","","","1.024","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118955","21.0856","0.0009","21.0856","0.0009","17.9678","0.0008","90","","90","","120","","6918.3","0.5","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C26 H20 Mo N5 Ni O7.58 -","- C25.9867 H20 Mo N5 Ni O7.57 -","- C233.88 H180 Mo9 N45 Ni9 O68.13 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko","Highly Selective CO2 Uptake in Uninodal 6-Connected ""mmo"" Nets Based upon MO42- (M = Cr, Mo) Pillars","Journal of the American Chemical Society","2012","134","","19556","19559","10.1021/ja309452y","","","0.41328","synchrotron","","0.0323","0.0322","","","0.0869","0.087","","","","","","1.034","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118956","6.523","0.003","18.23","0.008","28.472","0.011","90","","95.491","0.01","90","","3370","3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","11,11-Bis(p-nitrobenzoyloxymethyl)-3-methyl-13- phenylsulfonylbicyclo[7.4.0]trideca-1(13),2,8-triene","","- C36 H34 N2 O10 S -","- C36 H34 N2 O10 S -","- C144 H136 N8 O40 S4 -","4","1","","Chisato Mukai; Yuu Ohta; Yuki Oura; Yasuaki Kawaguchi; Fuyuhiko Inagaki","Csp3-Csp3 and Csp3-H Bond Activation of 1,1-Disubstituted Cyclopentane","Journal of the American Chemical Society","2012","134","","19580","19583","10.1021/ja309830p","","x-ray","0.71075","MoKα","","","0.0737","","","","0.2457","","","","","","0.997","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118957","8.2318","0.0004","14.4872","0.0007","16.7957","0.0007","114.665","0.003","90.07","0.002","95.4728","0.0014","1810.08","0.15","103","","103","","","","","","","","","5","P -1","-P 1","2","","Bis-1H-indole-2-yl-2-phenylsulfonyl-3-spiro[2.4]hept-1-yl 5-methylenecyclohexane-3-ene dicarboxate","","- C42 H41 N3 O6 S -","- C42 H41 N3 O6 S -","- C84 H82 N6 O12 S2 -","2","1","","Chisato Mukai; Yuu Ohta; Yuki Oura; Yasuaki Kawaguchi; Fuyuhiko Inagaki","Csp3-Csp3 and Csp3-H Bond Activation of 1,1-Disubstituted Cyclopentane","Journal of the American Chemical Society","2012","134","","19580","19583","10.1021/ja309830p","","x-ray","0.71075","MoKα","","","0.0656","","","","0.215","","","","","","1.063","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118958","13.7048","0.0007","18.8549","0.001","29.2118","0.0014","90","","90","","90","","7548.4","0.7","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","TEA[MoTp*(O)(S2BMOPP)]","","","- C45 H67 B Cl18 Mo N12 O4 S2 -","- C39 H61 B Mo N12 O4 S2 -","- C156 H244 B4 Mo4 N48 O16 S8 -","4","1","","Benjamin R. Williams; Yichun Fu; Glenn P. A. Yap; Sharon J. Nieter Burgmayer","Structure and Reversible Pyran Formation in Molybdenum Pyranopterin Dithiolene Models of the Molybdenum Cofactor","Journal of the American Chemical Society","2012","134","","19584","19587","10.1021/ja310018e","","","1.54178","CuKα","","0.1081","0.0666","","","0.1241","0.1334","","","","","","1.058","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118959","14.1966","0.0005","17.0102","0.0005","42.0911","0.0016","90","","97.583","0.002","90","","10075.6","0.6","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","MoTp*(O)(S2BMOPP","","","- C38 H55 B Cl7 Mo N11 O4 S2 -","- C31 H41 B Mo N11 O4 S2 -","- C248 H328 B8 Mo8 N88 O32 S16 -","8","2","","Benjamin R. Williams; Yichun Fu; Glenn P. A. Yap; Sharon J. Nieter Burgmayer","Structure and Reversible Pyran Formation in Molybdenum Pyranopterin Dithiolene Models of the Molybdenum Cofactor","Journal of the American Chemical Society","2012","134","","19584","19587","10.1021/ja310018e","","","0.71073","MoKα","","0.1394","0.0596","","","0.0857","0.0951","","","","","","1.037","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118960","19.3748","0.001","16.0589","0.001","16.0249","0.0011","90","","90","","90","","4986","0.5","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C36 H56 I2 N24 O22 -","- C36 H36 I2 N24 O21 -","- C144 H144 I8 N96 O84 -","4","0.5","","Hamdy S. El-Sheshtawy; Bassem S. Bassil; Khaleel I. Assaf; Ulrich Kortz; Werner M. Nau","Halogen Bonding inside a Molecular Container","Journal of the American Chemical Society","2012","134","","19935","19941","10.1021/ja3102902","","","0.71073","MoKα","","0.0864","0.0738","","","0.2034","0.2163","","","","","","1","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118961","15.7222","0.0015","17.6914","0.0018","24.123","0.002","80.543","0.005","74.26","0.004","63.628","0.004","5778.6","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H192 Br19 I7 N96 Na10 O72 -","- C144 H144 Br18.6 I6.8 N96 Na9.4 O71.5 -","- C144 H144 Br18.6 I6.8 N96 Na9.4 O71.5 -","1","0.5","","Hamdy S. El-Sheshtawy; Bassem S. Bassil; Khaleel I. Assaf; Ulrich Kortz; Werner M. Nau","Halogen Bonding inside a Molecular Container","Journal of the American Chemical Society","2012","134","","19935","19941","10.1021/ja3102902","","","0.71073","MoKα","","0.1045","0.0801","","","0.2005","0.2204","","","","","","1.028","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118962","18.765","0.003","18.765","0.003","46.463","0.012","90","","90","","90","","16361","6","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C33 H14 O10 Zn2 -","- C33 H14 O10 Zn2 -","- C264 H112 O80 Zn16 -","8","0.25","","Natalia B. Shustova; Anthony F. Cozzolino; Mircea Dincă","Conformational Locking by Design: Relating Strain Energy with Luminescence and Stability in Rigid Metal-Organic Frameworks","Journal of the American Chemical Society","2012","134","","19596","19599","10.1021/ja3103154","","","0.71073","MoKα","","0.1906","0.0542","","","0.1239","0.1573","","","","","","0.885","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118963","11.5732","0.001","13.3707","0.0011","16.0107","0.0013","67.623","0.002","70.792","0.002","88.376","0.002","2150.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H68 Br O2 P Pd -","- C43.5 H68 Br O2 P Pd -","- C87 H136 Br2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0447","0.0297","","","0.067","0.0726","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118964","8.609","0.0008","9.7","0.0009","21.645","0.002","90.554","0.001","92.547","0.002","101.853","0.001","1766.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H53 Br F O2 P Pd -","- C37 H53 Br F O2 P Pd -","- C74 H106 Br2 F2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0345","0.0265","","","0.066","0.0702","","","","","","1.035","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118965","11.609","0.001","12.4243","0.0011","13.6746","0.0013","87.071","0.002","89.873","0.002","71.791","0.002","1870.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H55 Br Cl O2 P Pd -","- C37.5 H55 Br Cl O2 P Pd -","- C75 H110 Br2 Cl2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0305","0.0249","","","0.062","0.0649","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118966","11.6977","0.0008","11.8511","0.0008","16.6091","0.0011","75.678","0.001","71.514","0.001","62.791","0.001","1927.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H62 Cl O2 P Pd -","- C41 H62 Cl O2 P Pd -","- C82 H124 Cl2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0553","0.0516","","","0.127","0.1292","","","","","","1.198","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118967","11.7507","0.0009","13.3686","0.001","15.8562","0.0012","68.638","0.002","70.57","0.002","88.106","0.002","2176.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H68 I O2 P Pd -","- C43.5 H68 I O2 P Pd -","- C87 H136 I2 O4 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0524","0.0382","","","0.0957","0.1054","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118968","11.2123","0.0012","12.6607","0.0013","16.4926","0.0017","107.799","0.002","94.657","0.002","110.182","0.002","2046.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H56 Cl2 F3 O5 P Pd S -","- C39 H56 Cl2 F3 O5 P Pd S -","- C78 H112 Cl4 F6 O10 P2 Pd2 S2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0362","0.0325","","","0.0866","0.0896","","","","","","1.077","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118969","8.7579","0.0011","9.7841","0.0012","20.337","0.003","95.94","0.002","90.071","0.002","91.111","0.002","1732.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H55 Br N P Pd -","- C37 H55 Br N P Pd -","- C74 H110 Br2 N2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0291","0.0241","","","0.0576","0.06","","","","","","1.038","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118970","11.5252","0.0007","17.2371","0.0011","18.7727","0.0012","94.56","0.001","91.707","0.001","96.906","0.002","3687.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H58 Br P Pd -","- C39 H58 Br P Pd -","- C156 H232 Br4 P4 Pd4 -","4","2","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0301","0.0229","","","0.0528","0.0556","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118971","10.9679","0.0006","14.0266","0.0007","21.0174","0.0011","90","","92.757","0.002","90","","3229.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 Br P Pd -","- C35 H50 Br P Pd -","- C140 H200 Br4 P4 Pd4 -","4","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0457","0.0328","","","0.0576","0.0611","","","","","","1.023","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118972","11.0494","0.0004","11.2985","0.0004","14.3488","0.0005","71.16","0.001","76.222","0.001","78.468","0.001","1631.76","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H49 Br N P Pd -","- C36 H49 Br N P Pd -","- C72 H98 Br2 N2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0213","0.0192","","","0.0485","0.0495","","","","","","1.034","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118973","8.6168","0.0006","20.6232","0.0014","20.7353","0.0014","90","","90","","90","","3684.8","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H59 Br N O P Pd -","- C39 H59 Br N O P Pd -","- C156 H236 Br4 N4 O4 P4 Pd4 -","4","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0181","0.0172","","","0.0422","0.0425","","","","","","1.034","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118974","8.5546","0.0006","10.0043","0.0008","20.8134","0.0016","88.285","0.001","87.619","0.002","77.951","0.001","1740.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H54 Br O P Pd -","- C37 H54 Br O P Pd -","- C74 H108 Br2 O2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0257","0.0214","","","0.0514","0.0533","","","","","","1.043","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118975","8.5924","0.0005","10.1285","0.0006","21.1575","0.0011","92.227","0.002","93.428","0.002","101.416","0.003","1799.22","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H53 Br N O P Pd -","- C38 H53 Br N O P Pd -","- C76 H106 Br2 N2 O2 P2 Pd2 -","2","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","1.54178","CuKα","","0.0218","0.0214","","","0.0543","0.0545","","","","","","1.046","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118976","19.508","0.003","9.6906","0.001","15.2967","0.0019","90","","133.054","0.003","90","","2113","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 B N -","- C32 H20 B N -","- C128 H80 B4 N4 -","4","0.5","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","","0.0443","","","","0.1157","","","","","","1.001","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118977","10.1906","0.0018","10.1906","0.0018","17.991","0.003","90","","90","","120","","1618","0.5","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H20 B N -","- C32 H20 B N -","- C96 H60 B3 N3 -","3","0.5","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","0.0665","0.0588","","","0.1492","0.1541","","","","","","1.086","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118978","9.696","0.003","12.111","0.004","23.872","0.007","90","","90","","90","","2803.2","1.5","173.15","","173","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C35 H25 B Br2 N -","- C35 H25 B Br2 N -","- C140 H100 B4 Br8 N4 -","4","1","","Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura","Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality","Journal of the American Chemical Society","2012","134","","19600","19603","10.1021/ja310372f","","","0.7107","MoKα","","0.065","0.051","","","0.118","0.1278","","","","","","1.073","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118979","11.23","0.002","7.1864","0.0014","20.729","0.004","90","","98.453","0.003","90","","1654.7","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C76 H68 Cl4 N8 O4 -","4","2","","Xin Feng; Zhi Zhou; Rong Zhou; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Stereodivergence in Amine-Catalyzed Regioselective [4 + 2] Cycloadditions of β-Substituted Cyclic Enones and Polyconjugated Malononitriles","Journal of the American Chemical Society","2012","134","","19942","19947","10.1021/ja3106219","","","0.71073","MoKα","","0.0499","0.039","","","0.0697","0.0734","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4118980","7.778","0.0016","10.516","0.002","11.757","0.002","115.63","0.03","100.45","0.03","100.87","0.03","813.1","0.4","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C38 H34 Cl2 N4 O2 -","2","2","","Xin Feng; Zhi Zhou; Rong Zhou; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Stereodivergence in Amine-Catalyzed Regioselective [4 + 2] Cycloadditions of β-Substituted Cyclic Enones and Polyconjugated Malononitriles","Journal of the American Chemical Society","2012","134","","19942","19947","10.1021/ja3106219","","","0.71073","MoKα","","0.0683","0.0656","","","0.1591","0.1624","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4118981","10.151","0.003","14.758","0.004","15.422","0.005","81.19","0.006","70.859","0.004","74.747","0.005","2100.1","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 N3 P2 Sc -","- C44 H64 N3 P2 Sc -","- C88 H128 N6 P4 Sc2 -","2","1","","Benjamin F. Wicker; Hongjun Fan; Anne K. Hickey; Marco G. Crestani; Jennifer Scott; Maren Pink; Daniel J. Mindiola","Evidence for the Existence of Terminal Scandium Imidos: Mechanistic Studies Involving Imido-Scandium Bond Formation and C-H Activation Reactions","Journal of the American Chemical Society","2012","134","","20081","20096","10.1021/ja307279r","","","0.71073","MoKα","","0.0911","0.0484","","","0.1005","0.1148","","","","","","1.007","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118982","10.871","0.0018","12.1829","0.0018","17.163","0.003","84.857","0.003","88.537","0.003","65.067","0.003","2052.7","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 N3 P2 Sc -","- C44 H64 N3 P2 Sc -","- C88 H128 N6 P4 Sc2 -","2","1","","Benjamin F. Wicker; Hongjun Fan; Anne K. Hickey; Marco G. Crestani; Jennifer Scott; Maren Pink; Daniel J. Mindiola","Evidence for the Existence of Terminal Scandium Imidos: Mechanistic Studies Involving Imido-Scandium Bond Formation and C-H Activation Reactions","Journal of the American Chemical Society","2012","134","","20081","20096","10.1021/ja307279r","","","0.71073","MoKα","","0.0804","0.0457","","","0.1029","0.1165","","","","","","1.002","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118983","26.184","0.002","26.175","0.002","18.4154","0.0017","90","","132.259","0.001","90","","9341.2","1.3","188","2","188","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","lithium sodium U24","","","- Li2 Na21 O200 U24 -","- Li2 Na21 O200 U24 -","- Li4 Na42 O400 U48 -","2","0.25","","May Nyman; Todd M. Alam","Dynamics of Uranyl Peroxide Nanocapsules","Journal of the American Chemical Society","2012","134","","20131","20138","10.1021/ja308673f","","","0.71073","MoKα","","0.0426","0.0336","","","0.0868","0.0912","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118984","9.6294","0.0005","29.9291","0.0015","9.7605","0.0005","90","","116.237","0.002","90","","2523.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H22 Br Cl O4 S -","- C28 H22 Br Cl O4 S -","- C112 H88 Br4 Cl4 O16 S4 -","4","2","","Yi Luan; Scott E. Schaus","Enantioselective Addition of Boronates too-Quinone Methides Catalyzed by Chiral Biphenols","Journal of the American Chemical Society","2012","134","","19965","19968","10.1021/ja309076g","","","0.71073","MoKα","","0.0391","0.0287","","","0.064","0.067","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118985","8.334","0.004","16.431","0.007","23.614","0.01","90","","98.9292","0.0015","90","","3194","2","103.15","","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 B F2 N2 -","- C35 H53 B F2 N2 -","- C140 H212 B4 F8 N8 -","4","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.7107","MoKα","","0.071","0.0571","","","0.1232","0.1306","","","","","","1.151","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118986","10.724","0.004","20.898","0.008","28.226","0.011","90","","90","","90","","6326","4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H53 B F N2 -","- C35 H53 B F N2 -","- C280 H424 B8 F8 N16 -","8","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.7107","MoKα","","0.1112","0.0949","","","0.1745","0.1811","","","","","","1.295","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118987","16.741","0.004","9.664","0.002","22.416","0.005","90","","104.58","0.007","90","","3509.8","1.4","93.15","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H110 B2 F2 N4 O2 -","- C76 H110 B2 F2 N4 O2 -","- C152 H220 B4 F4 N8 O4 -","2","0.5","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.71075","MoKα","","0.0983","0.0599","","","0.1369","0.1622","","","","","","1.073","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118988","23.803","0.006","24.237","0.005","16.56","0.004","90","","125.035","0.003","90","","7823","3","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 B F N2 O2 -","- C42 H58 B F N2 O2 -","- C336 H464 B8 F8 N16 O16 -","8","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.71075","MoKα","","0.0941","0.0605","","","0.1629","0.1878","","","","","","1.05","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118989","5.9166","0.0002","13.7691","0.0005","15.2416","0.0005","90.41","0.002","95.548","0.002","96.1","0.002","1228.67","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H30 O4 -","- C27 H30 O4 -","- C54 H60 O8 -","2","1","","Xin Cui; Xue Xu; Lukasz Wojtas; Martin M. Kim; X. Peter Zhang","Regioselective Synthesis of Multisubstituted Furans via Metalloradical Cyclization of Alkynes with α-Diazocarbonyls: Construction of Functionalized α-Oligofurans","Journal of the American Chemical Society","2012","134","","19981","19984","10.1021/ja309446n","","","1.54178","CuKα","","0.0666","0.0477","","","0.1179","0.1253","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118990","7.0249","0.0004","10.3298","0.0005","11.2418","0.0005","108.321","0.003","93.281","0.003","92.027","0.003","771.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Cl N3 O -","- C15 H18 Cl N3 O -","- C30 H36 Cl2 N6 O2 -","2","1","","Xin Cui; Xue Xu; Lukasz Wojtas; Martin M. Kim; X. Peter Zhang","Regioselective Synthesis of Multisubstituted Furans via Metalloradical Cyclization of Alkynes with α-Diazocarbonyls: Construction of Functionalized α-Oligofurans","Journal of the American Chemical Society","2012","134","","19981","19984","10.1021/ja309446n","","","1.54178","CuKα","","0.073","0.0474","","","0.1055","0.1164","","","","","","0.949","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118991","9.7833","0.0004","10.3659","0.0005","13.4336","0.0005","94.021","0.003","98.768","0.003","90.566","0.003","1342.81","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 O9 Si -","- C29 H26 O9 Si -","- C58 H52 O18 Si2 -","2","1","","Xin Cui; Xue Xu; Lukasz Wojtas; Martin M. Kim; X. Peter Zhang","Regioselective Synthesis of Multisubstituted Furans via Metalloradical Cyclization of Alkynes with α-Diazocarbonyls: Construction of Functionalized α-Oligofurans","Journal of the American Chemical Society","2012","134","","19981","19984","10.1021/ja309446n","","","1.54178","CuKα","","0.0812","0.0593","","","0.1514","0.1761","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4118992","19.0446","0.0015","13.135","0.001","19.9003","0.0016","90","","106.515","0.003","90","","4772.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 B S -","- C32 H23 B S -","- C256 H184 B8 S8 -","8","2","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0731","0.0489","","","0.1183","0.1327","","","","","","1.019","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118993","23.004","0.016","12.385","0.009","22.553","0.016","90","","115.261","0.011","90","","5811","7","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 B S Si -","- C35 H31 B S Si -","- C280 H248 B8 S8 Si8 -","8","2","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0677","0.0399","","","0.0884","0.1034","","","","","","1.041","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118994","5.8245","0.0008","11.9115","0.0019","20.946","0.003","86.191","0.005","83.922","0.006","83.466","0.005","1433.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H31 B O -","- C39 H31 B O -","- C78 H62 B2 O2 -","2","1","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0758","0.0593","","","0.1382","0.145","","","","","","1.176","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118995","9.915","0.0006","9.915","0.0006","25.0921","0.0015","90","","90","","90","","2466.7","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C33 H26 B N -","- C33 H26 B N -","- C132 H104 B4 N4 -","4","0.5","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0511","0.0397","","","0.0913","0.0958","","","","","","1.139","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118996","12.177","0.006","22.427","0.012","13.406","0.007","90","","93.599","0.018","90","","3654","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 B N3 -","- C46 H42 B N3 -","- C184 H168 B4 N12 -","4","1","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0899","0.0462","","","0.0952","0.1112","","","","","","1.015","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118997","12.8065","0.0005","16.3767","0.0007","15.7886","0.0007","90","","90.731","0.002","90","","3311","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H68 B2 Cl4 N4 S2 -","- C80 H68 B2 Cl4 N4 S2 -","- C160 H136 B4 Cl8 N8 S4 -","2","0.5","","Holger Braunschweig; Alexander Damme; J. Oscar C. Jimenez-Halla; Christian Hörl; Ivo Krummenacher; Thomas Kupfer; Lisa Mailänder; Krzysztof Radacki","1-Heteroaromatic-Substituted Tetraphenylboroles: π-π Interactions Between Aromatic and Antiaromatic Rings Through a B-C Bond","Journal of the American Chemical Society","2012","134","","20169","20177","10.1021/ja309935t","","","0.71073","MoKα","","0.0732","0.0465","","","0.1212","0.135","","","","","","1.047","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118998","5.22","0.002","12.634","0.005","24.533","0.01","90","","90","","90","","1617.9","1.1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.1939","0.0776","","","0.0984","0.1347","","","","","","0.994","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118999","7.803","0.002","8.447","0.002","15.916","0.004","90","","90","","90","","1049.1","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.0662","0.0515","","","0.1188","0.1272","","","","","","1.029","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119000","15.455","0.002","14.2299","0.0014","9.9701","0.0009","90","","90","","90","","2192.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C104 H160 O16 -","8","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.0842","0.0765","","","0.1271","0.1299","","","","","","1.346","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119001","6.391","0.001","12.075","0.002","18.79","0.002","90","","90","","90","","1450","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.1015","0.0768","","","0.1173","0.1259","","","","","","1.081","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119002","6.855","0.003","11.073","0.005","18.409","0.008","90","","90","","90","","1397.3","1.1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.2127","0.0824","","","0.1461","0.1822","","","","","","0.963","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119003","8.059","0.004","12.224","0.005","15.477","0.007","90","","90","","90","","1524.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0474","0.0412","","","0.1011","0.1041","","","","","","0.996","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119004","12.566","0.006","12.26","0.005","10.22","0.005","90","","102.514","0.006","90","","1537.1","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O -","- C18 H23 N O -","- C72 H92 N4 O4 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0763","0.0649","","","0.1733","0.1829","","","","","","1.059","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119005","9.849","0.004","11.546","0.005","19.915","0.008","90","","95.101","0.005","90","","2255.7","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H34 N2 O4 -","- C23 H34 N2 O4 -","- C92 H136 N8 O16 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0811","0.0619","","","0.1526","0.1665","","","","","","1.056","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119006","6.751","0.002","10.752","0.003","14.225","0.005","90","","101.543","0.005","90","","1011.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O5 S -","- C19 H26 N2 O5 S -","- C38 H52 N4 O10 S2 -","2","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0751","0.0554","","","0.1179","0.1254","","","","","","0.977","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119007","6.7451","0.0013","14.825","0.003","16.546","0.004","90","","90","","90","","1654.5","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 N O3 -","- C18 H13 Cl2 N O3 -","- C72 H52 Cl8 N4 O12 -","4","1","","Takuya Oguma; Tsutomu Katsuki","Iron-Catalyzed Dioxygen-Driven C-C Bond Formation: Oxidative Dearomatization of 2-Naphthols with Construction of a Chiral Quaternary Stereocenter","Journal of the American Chemical Society","2012","134","","20017","20020","10.1021/ja310203c","","","0.71075","MoKα","","","0.0828","","","","0.1627","","","","","","1.099","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119008","7.0718","0.0017","9.922","0.003","19.048","0.005","90","","95.248","0.005","90","","1330.9","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Takuya Oguma; Tsutomu Katsuki","Iron-Catalyzed Dioxygen-Driven C-C Bond Formation: Oxidative Dearomatization of 2-Naphthols with Construction of a Chiral Quaternary Stereocenter","Journal of the American Chemical Society","2012","134","","20017","20020","10.1021/ja310203c","","","0.71075","MoKα","","","0.0693","","","","0.1988","","","","","","1.092","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119009","16.4767","0.0003","4.7717","0.0001","20.1538","0.0004","90","","111.124","0.001","90","","1478.05","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","2","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71073","MoKα","","0.0521","0.0368","","","0.0662","0.0709","","","","","","0.966","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119010","5.1753","0.0009","8.4468","0.0011","30.485","0.005","90","","90","","90","","1332.6","0.4","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C52 H72 Br4 N4 O8 -","4","1","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71075","MoKα","","","0.0336","","","","0.092","","","","","","1.121","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119011","5.1865","0.0001","20.1756","0.0003","7.4953","0.0001","90","","104.071","0.001","90","","760.78","0.02","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 Br2 O2 -","- C15 H20 Br2 O2 -","- C30 H40 Br4 O4 -","2","1","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71073","MoKα","","0.0201","0.0194","","","0.0447","0.0448","","","","","","0.939","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119012","9.1401","0.0005","8.7933","0.0004","9.4025","0.0004","90","","91.943","0.002","90","","755.26","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Cl O6 -","- C15 H15 Cl O6 -","- C30 H30 Cl2 O12 -","2","1","","Kimberly M. Steward; Michael T. Corbett; C. Guy Goodman; Jeffrey S. Johnson","Asymmetric Synthesis of Diverse Glycolic Acid Scaffolds via Dynamic Kinetic Resolution of α-Keto Esters","Journal of the American Chemical Society","2012","134","","20197","20206","10.1021/ja3102709","","","1.54184","CuKα","","0.0256","0.0254","","","0.0608","0.0609","","","","","","1.061","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119013","11.8248","0.0019","25.228","0.004","17.106","0.003","90","","90","","90","","5103","1.5","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C48 H72 Si10 -","- C48 H72 Si10 -","- C192 H288 Si40 -","4","0.25","","Takashi Abe; Ryoji Tanaka; Shintaro Ishida; Mitsuo Kira; Takeaki Iwamoto","New Isolable Dialkylsilylene and Its Isolable Dimer That Equilibrate in Solution","Journal of the American Chemical Society","2012","134","","20029","20032","10.1021/ja310391m","","","0.71073","MoKα","","0.0409","0.0352","","","0.0925","0.0985","","","","","","1.083","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119014","12.045","0.001","6.7445","0.0004","16.898","0.001","90","0.001","102.847","0.001","90","0.001","1338.39","0.16","173.1","","173.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 Si5 -","- C24 H36 Si5 -","- C48 H72 Si10 -","2","1","","Takashi Abe; Ryoji Tanaka; Shintaro Ishida; Mitsuo Kira; Takeaki Iwamoto","New Isolable Dialkylsilylene and Its Isolable Dimer That Equilibrate in Solution","Journal of the American Chemical Society","2012","134","","20029","20032","10.1021/ja310391m","","","0.7107","MoKα","","","0.0295","","","","0.0684","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119015","13.1141","0.0008","5.6496","0.0003","22.6159","0.0014","90","","106.438","0.001","90","","1607.11","0.16","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Br -","- C22 H17 Br -","- C88 H68 Br4 -","4","1","","Kathryn A. Moore; Jesus S. Vidaurri-Martinez; Dasan M. Thamattoor","The Benzylidenecarbene-Phenylacetylene Rearrangement: An Experimental and Computational Study","Journal of the American Chemical Society","2012","134","","20037","20040","10.1021/ja310440e","","","0.71073","MoKα","","0.0475","0.04","","","0.102","0.1063","","","","","","0.959","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119016","4.74","0.0004","17.2999","0.0014","17.9831","0.0014","90","","93.957","0.001","90","","1471.1","0.2","93","2","93","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 -","- C22 H16 -","- C88 H64 -","4","1","","Kathryn A. Moore; Jesus S. Vidaurri-Martinez; Dasan M. Thamattoor","The Benzylidenecarbene-Phenylacetylene Rearrangement: An Experimental and Computational Study","Journal of the American Chemical Society","2012","134","","20037","20040","10.1021/ja310440e","","","0.71073","MoKα","","0.0653","0.0458","","","0.1284","0.1497","","","","","","1.015","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119017","14.552","0.004","17.226","0.005","22.142","0.006","87.924","0.005","73.64","0.005","77.2","0.005","5191","3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","L(Me)Fe(tBupy)2","","","- C47 H67 Fe N4 -","- C47 H67 Fe N4 -","- C188 H268 Fe4 N16 -","4","2","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1718","0.0946","","","0.2333","0.2683","","","","","","0.94","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119018","14.676","0.003","34.656","0.008","14.788","0.003","90","","90","","90","","7521","3","100","0.1","100","0.1","","","","","","","","4","P n n a","-P 2a 2bc","52","[L(Me)Fe]2(u-C10H10N2)","","","- C83 H114 Fe2 N8 -","- C83 H114 Fe2 N8 -","- C332 H456 Fe8 N32 -","4","0.5","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1099","0.0649","","","0.1244","0.1417","","","","","","1.064","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119019","14.783","0.002","17.156","0.003","18.848","0.003","90","","92.15","0.003","90","","4776.8","1.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holkcm01","","","- C58 H66 Fe N4 -","- C58 H66 Fe N4 -","- C232 H264 Fe4 N16 -","4","1","","Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland","Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes","Journal of the American Chemical Society","2012","134","","20352","20364","10.1021/ja305679m","","","0.71073","MoKα","","0.1425","0.0666","","","0.1239","0.1513","","","","","","1.013","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119020","11.6446","0.0006","24.0079","0.0011","13.3326","0.0006","90","","99.087","0.002","90","","3680.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","RuCppH","","","- C30 H23 F12 N7 O4 P2 Ru -","- C30 H23 F12 N7 O4 P2 Ru -","- C120 H92 F48 N28 O16 P8 Ru4 -","4","1","","Vanessa Pierroz; Tanmaya Joshi; Anna Leonidova; Cristina Mari; Julia Schur; Ingo Ott; Leone Spiccia; Stefano Ferrari; Gilles Gasser","Molecular and Cellular Characterization of the Biological Effects of Ruthenium(II) Complexes Incorporating 2-Pyridyl-2-pyrimidine-4-carboxylic Acid","Journal of the American Chemical Society","2012","134","","20376","20387","10.1021/ja307288s","","","0.71073","MoKα","","0.0598","0.0488","","","0.1309","0.1401","","","","","","1.03","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119021","15.8449","0.0007","14.7672","0.0008","16.7863","0.0009","90","","99.325","0.003","90","","3875.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","RuCppLOH","","","- C36 H34 Cl2 N8 O13 Ru -","- C36 H34 Cl2 N8 O13 Ru -","- C144 H136 Cl8 N32 O52 Ru4 -","4","1","","Vanessa Pierroz; Tanmaya Joshi; Anna Leonidova; Cristina Mari; Julia Schur; Ingo Ott; Leone Spiccia; Stefano Ferrari; Gilles Gasser","Molecular and Cellular Characterization of the Biological Effects of Ruthenium(II) Complexes Incorporating 2-Pyridyl-2-pyrimidine-4-carboxylic Acid","Journal of the American Chemical Society","2012","134","","20376","20387","10.1021/ja307288s","","","0.71073","MoKα","","0.076","0.0529","","","0.1321","0.1445","","","","","","1.106","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119022","32.527","0.007","10.868","0.002","16.48","0.003","90","","119.26","0.03","90","","5082","2","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H35 P -","- C31 H35 P -","- C248 H280 P8 -","8","1","","Weizhi Geng; Wen-Xiong Zhang; Wei Hao; Zhenfeng Xi","Cyclopentadiene-Phosphine/Palladium-Catalyzed Cleavage of C-N Bonds in Secondary Amines: Synthesis of Pyrrole and Indole Derivatives from Secondary Amines and Alkenyl or Aryl Dibromides","Journal of the American Chemical Society","2012","134","","20230","20233","10.1021/ja308950d","","","0.71073","MoKα","","0.1092","0.0499","","","0.0656","0.0712","","","","","","0.845","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4119023","12.776","0.003","16.646","0.003","14.441","0.003","90","","115.63","0.03","90","","2769","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H68 Cl2 P2 Pd2 -","- C62 H68 Cl2 P2 Pd2 -","- C124 H136 Cl4 P4 Pd4 -","2","1","","Weizhi Geng; Wen-Xiong Zhang; Wei Hao; Zhenfeng Xi","Cyclopentadiene-Phosphine/Palladium-Catalyzed Cleavage of C-N Bonds in Secondary Amines: Synthesis of Pyrrole and Indole Derivatives from Secondary Amines and Alkenyl or Aryl Dibromides","Journal of the American Chemical Society","2012","134","","20230","20233","10.1021/ja308950d","","","0.71073","MoKα","","0.1261","0.0558","","","0.1226","0.161","","","","","","0.993","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119024","6.8131","0.0019","15.782","0.004","11.155","0.003","90","","103.078","0.004","90","","1168.3","0.5","100","2","100","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","RH430","","","- C50 H50 O16 Zn2 -","- C44 H26 O10 Zn2 -","- C44 H26 O10 Zn2 -","1","0.25","","Kyriakos C. Stylianou; Jeremy Rabone; Samantha Y. Chong; Romain Heck; Jayne Armstrong; Paul V. Wiper; Kim E. Jelfs; Sergey Zlatogorsky; John Bacsa; Alec G. McLennan; Christopher P. Ireland; Yaroslav Z. Khimyak; K. Mark Thomas; Darren Bradshaw; Matthew J. Rosseinsky","Dimensionality Transformation through Paddlewheel Reconfiguration in a Flexible and Porous Zn-Based Metal-Organic Framework","Journal of the American Chemical Society","2012","134","","20466","20478","10.1021/ja308995t","","","0.71073","MoKα","","0.0495","0.0446","","","0.1225","0.1261","","","","","","1.061","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119025","9.2783","0.0016","10.75","0.002","11.287","0.002","87.708","0.008","80.253","0.006","70.918","0.007","1048.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Fe2 N4 Si4 -","- C36 H56 Fe2 N4 Si4 -","- C36 H56 Fe2 N4 Si4 -","1","0.5","","Takuji Hatakeyama; Ryuji Imayoshi; Yuya Yoshimoto; Sujit K. Ghorai; Masayoshi Jin; Hikaru Takaya; Kazuhiro Norisuye; Yoshiki Sohrin; Masaharu Nakamura","Iron-Catalyzed Aromatic Amination for Nonsymmetrical Triarylamine Synthesis","Journal of the American Chemical Society","2012","134","","20262","20265","10.1021/ja309845k","","","0.7107","MoKα","","0.042","0.0355","","","0.0844","0.0881","","","","","","1.046","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119026","20.3811","0.0006","26.9813","0.0009","27.5389","0.0009","106.895","0.002","91.108","0.002","96.509","0.002","14375.1","0.8","202","2","202","2","","","","","","","","7","P -1","-P 1","2","Au24(PPh3)10(SR)5ClBr","","","- C220 H185 Au24 Br1.34 Cl0.67 P10 S5 -","- C220 H185 Au24 Br1.357 Cl0.643 P10 S5 -","- C440 H370 Au48 Br2.714 Cl1.286 P20 S10 -","2","1","","Anindita Das; Tao Li; Katsuyuki Nobusada; Qiong Zeng; Nathaniel L. Rosi; Rongchao Jin","Total Structure and Optical Properties of a Phosphine/Thiolate-Protected Au24 Nanocluster","Journal of the American Chemical Society","2012","134","","20286","20289","10.1021/ja3101566","","","1.54178","CuKα","","0.0958","0.0533","","","0.156","0.1861","","","","","","1.031","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119027","13.0071","0.0007","6.7819","0.0004","22.038","0.0015","90","","93.132","0.002","90","","1941.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H34 O2 -","- C24 H34 O2 -","- C96 H136 O8 -","4","1","","Michael A. Schafroth; David Sarlah; Simon Krautwald; Erick M. Carreira","Iridium-Catalyzed Enantioselective Polyene Cyclization","Journal of the American Chemical Society","2012","134","","20276","20278","10.1021/ja310386m","","","0.71073","MoKα","","0.0426","0.0364","","","0.0867","0.0906","","","","","","1.132","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119028","17.072","0.002","15.982","0.002","18.311","0.002","90","","90","","90","","4996.1","1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H27 B F24 N5 O3 Re -","- C48 H27 B F24 N5 O3 Re -","- C192 H108 B4 F96 N20 O12 Re4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1113","0.053","","","0.0955","0.1211","","","","","","0.958","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119029","13.3687","0.001","9.4769","0.0007","39.453","0.0019","90","","93.559","0.001","90","","4988.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 B F24 N5 O3 Re -","- C49 H29 B F24 N5 O3 Re -","- C196 H116 B4 F96 N20 O12 Re4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1286","0.0511","","","0.0876","0.1063","","","","","","0.808","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119030","13.6164","0.0008","15.5341","0.0009","16.0883","0.0011","89.142","0.004","77.599","0.004","77.534","0.003","3243.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F3 N6 O6 Re S -","- C25 H28 F3 N6 O6 Re S -","- C100 H112 F12 N24 O24 Re4 S4 -","4","2","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.1552","0.0976","","","0.2418","0.2763","","","","","","1.073","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119031","10.4146","0.0005","13.4021","0.0006","14.6235","0.0007","90","","108.269","0.005","90","","1938.23","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 N2 O6 Re S -","- C16 H14 F3 N2 O6 Re S -","- C64 H56 F12 N8 O24 Re4 S4 -","4","1","","Maialen Espinal de Viguri; Miguel A. Huertos; Julio Pérez; Lucía Riera; Irene Ara","Re-Mediated C-C Coupling of Pyridines and Imidazoles","Journal of the American Chemical Society","2012","134","","20326","20329","10.1021/ja310981m","","","0.71073","MoKα","","0.0282","0.0226","","","0.0551","0.0569","","","","","","1","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119032","8.2766","0.0012","7.5631","0.0011","23.141","0.003","90","","92.492","0.002","90","","1447.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DJS01","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0463","0.0375","","","0.0929","0.0971","","","","","","1.051","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119033","19.258","0.005","8.836","0.002","10.373","0.003","90","","90","","90","","1765.1","0.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","DJS477","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0293","0.028","","","0.0717","0.0728","","","","","","0.982","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119034","11.2299","0.0007","6.1185","0.0004","11.449","0.0007","90","","107.071","0.001","90","","752","0.08","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","1","","Shivnath Mazumder; Deju Shang; Daniela E. Negru; Mu-Hyun Baik; P. Andrew Evans","Stereoselective Rhodium-Catalyzed [3 + 2 + 1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate","Journal of the American Chemical Society","2012","134","","20569","20572","10.1021/ja305467x","","","0.71073","MoKα","","0.0269","0.0258","","","0.0671","0.0684","","","","","","1.072","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119035","17.0906","0.0003","22.3234","0.0004","26.9891","0.0005","90","","90","","90","","10296.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H42 B F5 Fe P4 -","- C54 H42 B F5 Fe P4 -","- C432 H336 B8 F40 Fe8 P32 -","8","1","","Carolin Ziebart; Christopher Federsel; Pazhamalai Anbarasan; Ralf Jackstell; Wolfgang Baumann; Anke Spannenberg; Matthias Beller","Well-Defined Iron Catalyst for Improved Hydrogenation of Carbon Dioxide and Bicarbonate","Journal of the American Chemical Society","2012","134","","20701","20704","10.1021/ja307924a","","","0.71073","MoKα","","0.0859","0.0558","","","0.1391","0.1488","","","","","","0.962","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119036","10.4689","0.0003","13.1486","0.0004","15.6192","0.0005","102.458","0.003","90.654","0.003","92.795","0.003","2096.35","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H42 P4 -","- C54 H42 P4 -","- C108 H84 P8 -","2","1","","Carolin Ziebart; Christopher Federsel; Pazhamalai Anbarasan; Ralf Jackstell; Wolfgang Baumann; Anke Spannenberg; Matthias Beller","Well-Defined Iron Catalyst for Improved Hydrogenation of Carbon Dioxide and Bicarbonate","Journal of the American Chemical Society","2012","134","","20701","20704","10.1021/ja307924a","","","0.71073","MoKα","","0.043","0.0299","","","0.0708","0.0732","","","","","","0.909","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4119037","9.3019","0.0007","9.6426","0.0007","11.6855","0.0007","87.354","0.002","89.943","0.002","61.196","0.002","917.19","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H52 N4 O7 -","- C36 H46 N4 O7 -","- C36 H46 N4 O7 -","1","1","","Jangbae Kim; Sunbum Kwon; Su Hyun Kim; Chung-Kyung Lee; Joon-Hwa Lee; Sung June Cho; Hee-Seung Lee; Hyotcherl Ihee","Microtubes with Rectangular Cross-Section by Self-Assembly of a Short β-Peptide Foldamer","Journal of the American Chemical Society","2012","134","","20573","20576","10.1021/ja3088482","","","0.71073","MoKα","","0.1415","0.0716","","","0.1703","0.2092","","","","","","1.033","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119038","12.1695","0.0008","7.8377","0.0005","23.1846","0.0017","90","","100.189","0.006","90","","2176.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge K4 P4 S12 -","- Ge K4 P4 S12 -","- Ge4 K16 P16 S48 -","4","0.5","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0771","0.0482","","","0.0639","0.0691","","","","","","1.058","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119039","12.3217","0.0006","8.0462","0.0003","23.5743","0.0011","90","","100.622","0.004","90","","2297.17","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge P4 Rb4 S12 -","- Ge P4 Rb4 S12 -","- Ge4 P16 Rb16 S48 -","4","0.5","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0609","0.0403","","","0.0507","0.0536","","","","","","1.136","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119040","12.6475","0.0006","8.302","0.0003","24.2428","0.0013","90","","102.012","0.004","90","","2489.7","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs4 Ge P4 S12 -","- Cs4 Ge P4 S12 -","- Cs16 Ge4 P16 S48 -","4","0.5","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0606","0.0368","","","0.0591","0.0635","","","","","","1.026","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119041","13.9465","0.0004","7.2435","0.0002","24.0511","0.0009","90","","90","","90","","2429.68","0.13","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ge K4 P4 Se12 -","- Ge K4 P4 Se12 -","- Ge4 K16 P16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0443","0.0349","","","0.0877","0.1178","","","","","","1.108","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119042","14.1881","0.0005","7.3566","0.0003","24.2914","0.0015","90","","90","","90","","2535.4","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ge P4 Rb4 Se12 -","- Ge P4 Rb4 Se12 -","- Ge4 P16 Rb16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0878","0.0561","","","0.0633","0.0696","","","","","","1.032","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119043","14.3268","0.0007","7.6202","0.0003","24.6301","0.0014","90","","90","","90","","2688.9","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cs4 Ge P4 Se12 -","- Cs4 Ge P4 Se12 -","- Cs16 Ge4 P16 Se48 -","4","1","","Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis","Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation","Journal of the American Chemical Society","2012","134","","20733","20744","10.1021/ja309386e","","","0.71073","MoKα","","0.0853","0.054","","","0.0703","0.0767","","","","","","0.998","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119044","30.475","0.004","18.73","0.002","9.4164","0.0012","90","","90","","90","","5374.9","1.1","100","2","100","2","","","","","","","1,2-difluorobenzene, diethylether","8","P n n a","-P 2a 2bc","52","","","","- C22 H27 B F5 Fe Ni O3 S4 -","- C22 H27 B F5 Fe Ni O3 S4 -","- C176 H216 B8 F40 Fe8 Ni8 O24 S32 -","8","1","","Katharina Weber; Tobias Krämer; Hannah S. Shafaat; Thomas Weyhermüller; Eckhard Bill; Maurice van Gastel; Frank Neese; Wolfgang Lubitz","A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation","Journal of the American Chemical Society","2012","134","","20745","20755","10.1021/ja309563p","","","0.71073","MoKα","","0.069","0.0377","","","0.0731","0.0827","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119045","10.3219","0.0011","17.114","0.002","13.8157","0.0014","90","","93.484","0.002","90","","2436","0.5","100","2","100","2","","","","","","","dichloromethane, diethylether","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Fe Ni O3.5 S4 -","- C21 H29 Fe Ni O3.5 S4 -","- C84 H116 Fe4 Ni4 O14 S16 -","4","1","","Katharina Weber; Tobias Krämer; Hannah S. Shafaat; Thomas Weyhermüller; Eckhard Bill; Maurice van Gastel; Frank Neese; Wolfgang Lubitz","A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation","Journal of the American Chemical Society","2012","134","","20745","20755","10.1021/ja309563p","","","0.71073","MoKα","","0.0281","0.021","","","0.0528","0.057","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119046","10.657","0.001","15.472","0.001","19.027","0.001","101.86","0.001","94.24","0.001","104.373","0.001","2948.3","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H84 N3 O3 P2 Y -","- C60 H78 N3 O3 P2 Y -","- C120 H156 N6 O6 P4 Y2 -","2","1","","Clare Bakewell; Thi-Phuong-Anh Cao; Nicholas Long; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams","Yttrium Phosphasalen Initiators for rac-Lactide Polymerization: Excellent Rates and High Iso-Selectivities","Journal of the American Chemical Society","2012","134","","20577","20580","10.1021/ja310003v","","","0.71069","MoKα","","0.1231","0.0839","","","0.1627","0.1817","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119047","27.529","0.001","28.356","0.001","18.325","0.001","90","","124.463","0.001","90","","11794.1","0.9","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C126 H168 N6 O6 P4 Y2 -","- C114 H144 N6 O6 P4 Y2 -","- C456 H576 N24 O24 P16 Y8 -","4","0.5","","Clare Bakewell; Thi-Phuong-Anh Cao; Nicholas Long; Xavier F. Le Goff; Audrey Auffrant; Charlotte K. Williams","Yttrium Phosphasalen Initiators for rac-Lactide Polymerization: Excellent Rates and High Iso-Selectivities","Journal of the American Chemical Society","2012","134","","20577","20580","10.1021/ja310003v","","","0.71069","MoKα","","0.0842","0.0565","","","0.1136","0.1259","","","","","","1.05","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119048","5.6251","0.0004","7.8446","0.0007","9.7402","0.0008","76.794","0.007","89.114","0.006","77.979","0.007","409.03","0.06","173","2","173","","","","","","","","","4","P -1","-P 1","2","hydroxylammonium 1,3-di(nitroimide)-1,2,3-triazolate","hydroxylammonium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H6 N8 O5 -","- C2 H6 N8 O5 -","- C4 H12 N16 O10 -","2","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0358","0.0286","","","0.0678","0.0725","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119049","6.4299","0.0002","5.6658","0.0002","20.5491","0.0008","90","","90","","90","","748.61","0.05","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","ammonium 1,3-di(nitroimide)-1,2,3-triazolate","ammonium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H6 N8 O4 -","- C2 H6 N8 O4 -","- C8 H24 N32 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0395","0.038","","","0.0978","0.0999","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119050","3.6154","0.0004","23.16","0.002","10.0335","0.0009","90","","91.855","0.011","90","","839.69","0.14","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","hydrazinium 1,3-di(nitroimide)-1,2,3-triazolate","hydrazinium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H7 N9 O4 -","- C2 H7 N9 O4 -","- C8 H28 N36 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.1029","0.0714","","","0.1632","0.1822","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119051","9.6819","0.0014","9.8267","0.0012","12.1787","0.0019","89.446","0.011","88.555","0.012","89.845","0.011","1158.3","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","triaminoguanidinium 1,3-di(nitroimide)-1,2,3-triazolate","triaminoguanidinium 1,3-di(nitroimide)-1,2,3-triazolate","","- C3 H11 N13 O4 -","- C3 H11 N13 O4 -","- C12 H44 N52 O16 -","4","2","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.1243","0.0827","","","0.199","0.2313","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119052","5.5785","0.0006","8.5311","0.0007","15.4048","0.0011","90","","90","","90","","733.13","0.11","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","silver 1,3-di(nitroimide)-1,2,3-triazolate","silver 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H2 Ag N7 O4 -","- C2 H2 Ag N7 O4 -","- C8 H8 Ag4 N28 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0276","0.0238","","","0.0492","0.0508","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119053","9.7258","0.0004","19.6056","0.0007","8.2346","0.0003","90","","90","","90","","1570.17","0.1","173","2","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","potassium 1,3-di(nitroimide)-1,2,3-triazolate","potassium 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H2 K N7 O4 -","- C2 H2 K N7 O4 -","- C16 H16 K8 N56 O32 -","8","2","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0314","0.0277","","","0.062","0.0643","","","","","","1.044","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4119054","4.9507","0.0004","7.5613","0.0007","45.518","0.004","90","","90","","90","","1703.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Bo Zhang; Yao Wang; Sheng-Ping Yang; Yu Zhou; Wen-Bin Wu; Wei Tang; Jian-Ping Zuo; Ying Li; Jian-Min Yue","Ivorenolide A, an Unprecedented Immunosuppressive Macrolide from Khaya ivorensis: Structural Elucidation and Bioinspired Total Synthesis","Journal of the American Chemical Society","2012","134","","20605","20608","10.1021/ja310482z","","","0.71073","MoKα","","0.0527","0.048","","","0.1167","0.1192","","","","","","1.127","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119055","16.1117","0.00029","19.3001","0.00029","20.2389","0.00029","61.808","0.0014","81.3167","0.0007","81.9714","0.0007","5466.37","0.17","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C78 H82 Cr2 Mo2 O14 -","- C78 H82 Cr2 Mo2 O14 -","- C234 H246 Cr6 Mo6 O42 -","3","1.5","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Terry L. Gustafson; Vesal Naseri; Thomas F. Spilker","Electronic Structure and Excited-State Dynamics of the Molecular Triads: trans-M2(TiPB)2[O2CC6H5-η6-Cr(CO)3]2, Where M = Mo or W, and TiPB = 2,4,6-triisopropylbenzoate","Journal of the American Chemical Society","2012","134","","20820","20826","10.1021/ja310651y","","x-ray","0.71073","MoKα","","0.1031","0.0761","","","0.1612","0.1763","","","","","","1.148","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4119056","36.554","0.004","15.5755","0.0008","12.4572","0.0006","90","","90","","90","","7092.5","0.9","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C81 H94 F K N4 O12 -","- C79 H82 F K N4 O10 -","- C316 H328 F4 K4 N16 O40 -","4","0.5","","Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler","KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor","Journal of the American Chemical Society","2012","134","","20837","20843","10.1021/ja310673p","","","1.5418","CuKα","","0.2","0.1404","","","0.2471","0.2783","","","","","","1.196","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119057","20.693","0.0013","26.3422","0.0016","28.8106","0.0016","90","","90","","90","","15704.6","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C82 H92 Cl6 Cs F N4 O11 -","- C79 H85 Cs F N4 O10 -","- C632 H680 Cs8 F8 N32 O80 -","8","1","","Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler","KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor","Journal of the American Chemical Society","2012","134","","20837","20843","10.1021/ja310673p","","","0.71069","MoKα","","0.1695","0.0917","","","0.175","0.1926","","","","","","1.255","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119058","28.679","0.0004","15.9767","0.0003","22.2674","0.0005","90","","91.8471","0.0015","90","","10197.5","0.3","281","4","281","4","","","","","","","","8","I 1 2/c 1","-I 2yc","15","","","","- C55 H48 F3 N O4 P2 Pd S -","- C55 H48 F3 N O4 P2 Pd S -","- C440 H384 F24 N8 O32 P16 Pd8 S8 -","8","1","","Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines","Journal of the American Chemical Society","2012","134","","20613","20616","10.1021/ja310848x","","","1.5418","CuKα","","0.0416","0.037","","","0.1039","0.1092","","","","","","1.076","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119059","6.1308","0.0005","33.463","0.004","10.2958","0.0007","90","","90.668","0.007","90","","2112.1","0.3","294.32","0.1","294.32","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H26 N -","- C27 H25 N -","- C108 H100 N4 -","4","2","","Yinjun Xie; Jianhua Hu; Yanyu Wang; Chungu Xia; Hanmin Huang","Palladium-Catalyzed Vinylation of Aminals with Simple Alkenes: A New Strategy To Construct Allylamines","Journal of the American Chemical Society","2012","134","","20613","20616","10.1021/ja310848x","","","1.5418","CuKα","","0.1782","0.0971","","","0.2751","0.3725","","","","","","1.049","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4119060","25.919","0.004","11.0585","0.0018","26.886","0.004","90","","115.146","0.012","90","","6976","2","153","2","153","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C76 H67 O14 P3 Ru -","- C76 H67 O14 P3 Ru -","- C304 H268 O56 P12 Ru4 -","4","1","","Emma L. McInturff; Eiji Yamaguchi; Michael J. Krische","Chiral-Anion-Dependent Inversion of Diastereo- and Enantioselectivity in Carbonyl Crotylation via Ruthenium-Catalyzed Butadiene Hydrohydroxyalkylation","Journal of the American Chemical Society","2012","134","","20628","20631","10.1021/ja311208a","","","0.71075","MoKα","","0.1357","0.0757","","","0.1487","0.179","","","","","","1.018","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""