# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-28T03:09:33+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 = 127 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
"4060000","8.574","0.002","15.235","0.004","28.536","0.007","90","","90","","90","","3727.6","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 O6 -","- C42 H52 O6 -","- C168 H208 O24 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1101","0.0631","","","0.1267","0.1459","","","","","","0.929","","","","has coordinates","277847","2022-09-14","22:27:41",""
"4060001","9.9596","0.0015","11.4051","0.0018","28.487","0.004","90","","90","","90","","3235.8","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O8 -","- C34 H44 O8 -","- C136 H176 O32 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1988","0.0564","","","0.1031","0.1387","","","","","","0.875","","","","has coordinates","277847","2022-09-14","22:27:43",""
"4060002","9.081","0.002","12.134","0.003","13.362","0.003","73.149","0.004","71.641","0.003","68.191","0.003","1272.2","0.5","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 F4 N6 Pt2 -","- C28 H18 F4 N6 Pt2 -","- C56 H36 F8 N12 Pt4 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0511","0.0404","","","0.1036","0.1085","","","","","","1.026","","","","has coordinates","277847","2022-09-14","22:27:45",""
"4060003","10.157","0.003","10.574","0.003","15.057","0.004","103.412","0.004","100.633","0.004","101.514","0.004","1495.6","0.6","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 F4 N6 Pt2 -","- C32 H26 F4 N6 Pt2 -","- C64 H52 F8 N12 Pt4 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0736","0.0558","","","0.1499","0.161","","","","","","1.07","","","","has coordinates","277847","2022-09-14","22:27:47",""
"4060004","10.0382","0.0018","20.024","0.004","17.864","0.003","90","","97.633","0.003","90","","3558.9","1.1","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 F4 N6 Pt2 -","- C38 H38 F4 N6 Pt2 -","- C152 H152 F16 N24 Pt8 -","4","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0578","0.0396","","","0.1001","0.1126","","","","","","1.043","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060005","18.549","0.004","10.512","0.002","21.43","0.004","90","","101.912","0.003","90","","4088.7","1.4","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 F4 N6 Pt2 -","- C44 H50 F4 N6 Pt2 -","- C176 H200 F16 N24 Pt8 -","4","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0492","0.0383","","","0.0914","0.1019","","","","","","1.062","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060006","8.5663","0.0009","9.4344","0.001","12.8913","0.0013","90.838","0.002","95.492","0.002","97.262","0.002","1028.37","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 B F2 N5 Pt -","- C21 H22 B F2 N5 Pt -","- C42 H44 B2 F4 N10 Pt2 -","2","1","","Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson","Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes","Journal of the American Chemical Society","2005","127","","28","29","10.1021/ja044313w","","","0.71073","MoKα","","0.0377","0.0341","","","0.0705","0.0714","","","","","","1.145","","","","has coordinates","277847","2022-09-14","22:27:47",""
"4060007","17.8302","0.0011","23.4425","0.0014","9.1356","0.0006","90","","90","","90","","3818.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H21 F6 N3 S -","- C17 H21 F6.003 N3 S -","- C136 H168 F48.024 N24 S8 -","8","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.71073","MoKα","","0.0777","0.0675","","","0.1653","0.1731","","","","","","1.057","","","","has coordinates,has disorder","277847","2022-09-14","22:27:49",""
"4060008","8.34","0.01","11.15","0.01","8.538","0.008","90","","106.8","0.04","90","","760","1","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.029","","","","0.04","","","","","","0.922","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060009","11.367","0.006","11.559","0.004","26.73","0.01","90","","90.02","0.02","90","","3511","2","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","4","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.052","","","","0.099","","","","","","0.823","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060010","8.509","0.005","11.225","0.008","23.33","0.01","90","","90","","90","","2228","2","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br Cl3 N O5 -","- C21 H19 Br Cl3 N O5 -","- C84 H76 Br4 Cl12 N4 O20 -","4","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.027","","","","0.071","","","","","","1.025","","","","has coordinates","277847","2022-09-14","22:27:49",""
"4060011","14.09","0.0001","15.066","0.0002","18.405","0.0002","70.22","0.001","87.22","0.001","84.14","0.001","3656.88","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H67 Cl O18 -","- C69 H67 Cl O18 -","- C138 H134 Cl2 O36 -","2","1","","Taizoon Canteenwala; Prashant A. Padmawar; Long Y. Chiang","Intense Near-Infrared Optical Absorbing Emerald Green [60]Fullerenes","Journal of the American Chemical Society","2005","127","","26","27","10.1021/ja044409q","","","0.71073","MoKα","","0.1366","0.1136","","0.3839","0.346","","","","1.033","1.103","1.103","","","","","has coordinates","277847","2022-09-14","22:27:49",""
"4060012","9.796","0.002","12.566","0.005","15.497","0.005","71.611","0.013","86.79","0.02","83.47","0.02","1798.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H16 B2 F24 O4 -","- C34 H16 B2 F24 O4 -","- C68 H32 B4 F48 O8 -","2","1","","Stewart P. Lewis; Lee D. Henderson; Brett D. Chandler; Masood Parvez; Warren E. Piers; Scott Collins","Aqueous Suspension Polymerization of Isobutene Initiated by 1,2-C6F4[B(C6F5)2]2","Journal of the American Chemical Society","2005","127","","46","47","10.1021/ja0445387","","x-ray","0.71073","MoKα","","0.0933","0.0578","","","0.1475","0.1703","","","","","","1.015","","","","has coordinates","277847","2022-09-14","22:27:51",""
"4060013","11.615","0.003","6.6412","0.0019","14.076","0.004","90","","95.389","0.005","90","","1081","0.5","173","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","04017a","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Jian Huang; Richard P. Hsung","Chiral Lewis Acid-Catalyzed Highly Enantioselective [4 + 3] Cycloaddition Reactions of Nitrogen-Stabilized Oxyallyl Cations Derived from Allenamides","Journal of the American Chemical Society","2005","127","","50","51","10.1021/ja044760b","","","","","","0.0719","0.0528","","","0.1276","0.1422","","","","","","1.092","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060014","9.2454","0.0008","34.141","0.003","10.872","0.001","90","0.002","109.476","0.002","90","0.002","3235.5","0.5","175.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 Ce -","- C34 H58 Ce F -","- C136 H232 Ce4 F4 -","4","1","","Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","","","","","0.0291","","","","0.0654","","","","","","1.306","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060015","10.14","0.0009","12.213","0.001","15.632","0.001","85.86","0.001","81.146","0.001","78.336","0.001","1871.7","0.3","122.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H58 Ce F5 -","- C40 H58 Ce F5 X0 -","- C80 H116 Ce2 F10 X0 -","2","1","","Maron, Laurent; Werkema, Evan L.; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A.","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","0.7107","MoKα","","","0.0404","","","","0.1011","","","","","","1.52","","","","has coordinates","277847","2022-09-14","22:27:51",""
"4060016","16.487","0.003","22.667","0.005","18.672","0.004","90","","90","","90","","6978","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H55 Hf P Si6 -","- C25 H55 Hf P Si6 -","- C200 H440 Hf8 P8 Si48 -","8","1","","Roland Fischer; Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Synthesis of a Hafnocene Disilene Complex","Journal of the American Chemical Society","2005","127","","70","71","10.1021/ja0464387","","","0.71073","MoKα","","0.1059","0.071","","","0.1264","0.1384","","","","","","1.108","","","","has coordinates","277847","2022-09-14","22:27:54",""
"4060017","21.5254","0.0013","21.5254","0.0013","14.173","0.0012","90","","90","","120","","5687.2","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10.17 H11 Cl0.25 N O P2 -","- C10.1667 H15 Cl0.253333 N O P2 -","- C183 H270 Cl4.56 N18 O18 P36 -","18","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.7107","MoKα","","0.1287","0.0628","","","0.1682","0.1949","","","","","","0.987","","","","has coordinates","270066","2021-10-23","16:45:43",""
"4060018","8.6521","0.0008","17.2931","0.0015","23.187","0.002","90","","90","","90","","3469.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 P2 W -","- C14 H15 N O5 P2 W -","- C112 H120 N8 O40 P16 W8 -","8","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0756","0.0453","","","0.0898","0.0984","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:27:56",""
"4060019","6.5297","0.0004","13.6202","0.0009","19.8064","0.0013","90","","90","","90","","1761.5","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Br N O4 P2 Re -","- C13 H15 Br N O4 P2 Re -","- C52 H60 Br4 N4 O16 P8 Re4 -","4","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0301","0.0273","","","0.0651","0.0662","","","","","","1.065","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060020","7.5359","0.0012","14.847","0.002","7.8287","0.0012","90","","90","","90","","875.9","0.2","673","2","673","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge1.95 Si2.05 -","- Gd5 Ge1.955 Si2.045 -","- Gd20 Ge7.82 Si8.18 -","4","0.5","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0506","0.0377","","","0.0766","0.0809","","","","","","1.011","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060021","7.5856","0.0009","14.81","0.0016","7.7855","0.0009","90","","90","","93.223","0.002","873.26","0.17","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Gd5 Ge1.99 Si2.02 -","- Gd5 Ge1.983 Si2.017 -","- Gd20 Ge7.932 Si8.068 -","4","1","","Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller","On the High-Temperature Phase Transition of Gd5Si2Ge2","Journal of the American Chemical Society","2005","127","","317","324","10.1021/ja048679k","","","0.71073","MoKα","","0.0493","0.0311","","","0.0545","0.0578","","","","","","0.967","","","","has coordinates","277847","2022-09-14","22:28:00",""
"4100037","8.546","0.0006","9.43","0.0008","11.165","0.0007","73.016","0.004","82.571","0.005","81.014","0.004","846.6","0.1","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 O5 S -","- C17 H13 F3 O5 S -","- C34 H26 F6 O10 S2 -","2","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100038","10.033","0.0002","11.953","0.0005","16.295","0.0007","90","","90","","90","","1954.2","0.1","273.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 O6 P -","- C20 H23 O6 P -","- C80 H92 O24 P4 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100039","7.334","0.0003","19.543","0.0004","9.082","0.0004","90","","90","","90","","1301.7","0.1","273.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Br2 O -","- C27 H18 Br4 O -","- C108 H72 Br16 O4 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100040","13.91","0.0003","19.228","0.0005","23.515","0.0007","90","","90","","90","","6289.4","0.3","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 F6 K O8 -","- C29 H31 F6 K O8 -","- C232 H248 F48 K8 O64 -","8","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218965","2020-10-21","18:00:00",""
"4100041","16.378","0.0006","7.467","0.0002","16.966","0.0006","90","","105.007","0.002","90","","2004.1","0.1","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 B N2 O2 -","- C24 B N2 O2 -","- C96 B4 N8 O8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218966","2020-10-21","18:00:00",""
"4100042","10.726","0.0004","12.542","0.0004","13.08","0.0004","90","","91.437","0.002","90","","1759.04","0.09","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 B N2 -","- C20 H25 B N2 -","- C80 H100 B4 N8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218966","2020-10-21","18:00:00",""
"4100043","12.777","0.0004","12.551","0.0006","10.72","0.0005","90","","90.546","0.003","90","","1719","0.1","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B Cl2 N2 -","- C18 H19 B Cl2 N2 -","- C72 H76 B4 Cl8 N8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100044","11.962","0.0004","7.228","0.0001","20.281","0.0007","90","","100.49","0.001","90","","1724.21","0.07","273.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 B O4 -","- C22 H17 B O4 -","- C88 H68 B4 O16 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100045","9.867","0.0004","14.292","0.0006","14.081","0.0004","90","","90","","90","","1985.7","0.1","273.2","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 B O5 -","- C23 H19 B O5 -","- C92 H76 B4 O20 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100046","8.493","0.0002","14.313","0.0006","15.954","0.0008","90","","90","","90","","1939.4","0.1","273.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 B O2 S2 -","- C36 H29 B O4 S2 -","- C144 H116 B4 O16 S8 -","4","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100047","18.729","0.0008","13.177","0.0005","21.8","0.0009","90","","111.059","0.002","90","","5020.7","0.3","273.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 B O4 -","- C18 H19 B O4 -","- C216 H228 B12 O48 -","12","3","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100048","12.187","0.0004","6.823","0.0002","32.524","0.001","90","","90","","90","","2704.4","0.2","273.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C128 H104 B8 F16 O16 -","8","2","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100049","6.95","0.0002","9.08","0.0002","11.323","0.0004","90","","90","","90","","714.55","0.04","273.2","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C16 H13 B Cl2 O2 -","- C16 H17 B Cl4 O2 -","- C32 H34 B2 Cl8 O4 -","2","0.5","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100050","6.642","0.005","12.169","0.005","15.118","0.005","90","","91.913","0.005","90","","1221.3","1.1","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100051","10.153","0.0005","7.248","0.0002","17.358","0.0009","90","","106.064","0.002","90","","1227.48","0.09","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 Br3 -","- C14 H7 Br3 -","- C56 H28 Br12 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100052","25.057","0.003","25.057","0.003","8.371","0.0005","90","","90","","90","","5255.8","0.7","273.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C17 H13 N O2 -","- C17 H14 N O2 -","- C272 H224 N16 O32 -","16","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100053","10.981","0.002","14.701","0.004","13.43","0.003","90","","107.81","0.02","90","","2064.2","0.8","273.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 B2 F7 O4 -","- C19 H19 B2 F7 O4 -","- C76 H76 B8 F28 O16 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100092","16.812","0.003","20.01","0.003","21.378","0.004","94.557","0.003","97.004","0.005","109.382","0.003","6677.7","1.9","90","2","","","","","","","","","","4","P -1","-P 1","2","Nickeltetra(n-pentyl)porphyrin","","","- C40 H52 N4 Ni -","- C40 H52 N4 Ni -","- C320 H416 N32 Ni8 -","8","4","","Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A.","Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins","Journal of the American Chemical Society","2005","127","4","1179","1192","10.1021/ja045309n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100093","8.4141","0.0019","13.293","0.003","15.281","0.003","82.965","0.006","81.68","0.006","88.189","0.006","1678.3","0.6","90","2","","","","","","","","","","4","P -1","-P 1","2","Ni(tetra-n-pentyl)porphyrin Polymorph II","","","- C40 H52 N4 Ni -","- C40 H52 N4 Ni -","- C80 H104 N8 Ni2 -","2","1","","Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A.","Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins","Journal of the American Chemical Society","2005","127","4","1179","1192","10.1021/ja045309n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100124","14.459","0.0009","11.522","0.001","19.651","0.002","90","0","109.542","0.005","90","0","3085.2","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","?","- C35 H31 Cl O4 S2 -","- C140 H124 Cl4 O16 S8 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100125","11.89","0.0006","14.086","0.0004","17.87","0.0009","90","0","90","0","90","0","2992.9","0.2","200","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","?","- C67 H56 Cl F4 O12 -","- C268 H224 Cl4 F16 O48 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100126","11.514","0.0002","15.328","0.0005","18.531","0.0006","78.168","0.001","78.935","0.002","79.867","0.002","3109.6","0.2","200","","","","","","","","","","","5","P -1","-P 1","2","","","","?","- C35.125 H29 Cl1.5 O6 S -","- C140.5 H116 Cl6 O24 S4 -","4","2","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100127","11.335","0.002","11.064","0.002","13.066","0.001","101.128","0.009","102.83","0.01","102.734","0.005","1507.1","0.4","200","","","","","","","","","","","4","P -1","-P 1","2","","","","?","- C35 H29 Cl O7 -","- C70 H58 Cl2 O14 -","2","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100128","15.062","0.0008","20.078","0.001","11.413","0.0004","90","","114.277","0.003","90","","3146.2","0.3","273.2","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cl O8 -","- C67 H60 Cl O16 -","- C268 H240 Cl4 O64 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100129","12.73","0.0005","14.609","0.0006","17.689","0.0007","90","","90","","90","","3289.7","0.2","273.2","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 F8 O4 P -","- C67 F16 O8 P -","- C268 F64 O32 P4 -","4","0.5","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100130","13.507","0.0004","17.866","0.001","14.609","0.0009","90","","91.321","0.003","90","","3524.4","0.3","273.2","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H35 F6 O6 P -","- C37 H35 F6 O6 P -","- C148 H140 F24 O24 P4 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100131","18.461","0.0005","13.905","0.0003","12.337","0.0003","90","","90","","90","","3166.9","0.1","273.2","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H29 Cl3 O6 -","- C35 H29 Cl3 O6 -","- C140 H116 Cl12 O24 -","4","1","","Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru","Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand","Journal of the American Chemical Society","2005","127","16","5893","5901","10.1021/ja043802t","","","","","","","","","","","","","","","","","","","","","has coordinates","219000","2020-10-21","18:00:00",""
"4100164","15.31","0.005","19.927","0.006","28.867","0.009","90","0.0017","94.6626","0.0018","90","0.0017","8778","5","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C107 H110 N4 Pd -","- C107.02 H110 N4 Pd -","- C428.08 H440 N16 Pd4 -","4","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100165","32.121","0.015","13.23","0.005","25.781","0.012","90","0.0011","125.41","0.0017","90","0.0011","8929","7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H102 Cl2 N4 O4 Pd -","- C99 H92 Cl8 N4 O4 Pd -","- C396 H368 Cl32 N16 O16 Pd4 -","4","0.5","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100166","34.854","0.004","17.0305","0.0011","30.778","0.003","90","0.0009","114.649","0.0011","90","0.0009","16605","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H102 N4 O3 Pd -","- C100 H102 N4 O3 Pd -","- C800 H816 N32 O24 Pd8 -","8","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100276","9.439","0.001","25.767","0.001","9.547","0.001","90","","113.02","0.01","90","","2137.1","0.3","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H53 Cl2 Co N3 O -","- C46 H53 Cl2 Co N3 O -","- C92 H106 Cl4 Co2 N6 O2 -","2","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100277","9.872","0.001","27.669","0.001","13.89","0.001","90","","96.96","0.01","90","","3766.1","0.5","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 Cl Co N3 -","- C43 H47 Cl Co N3 -","- C172 H188 Cl4 Co4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100278","8.775","0.001","22.971","0.001","15.634","0.001","90","","101.2","0.01","90","","3091.3","0.4","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Cl Co N3 -","- C33 H43 Cl Co N3 -","- C132 H172 Cl4 Co4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100279","20.027","0.001","12.241","0.001","25.895","0.001","90","","93.75","0.01","90","","6334.6","0.7","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H53 B Br Co F20 N4 -","- C68 H53 B Br Co F20 N4 -","- C272 H212 B4 Br4 Co4 F80 N16 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100280","19.736","0.002","11.967","0.001","16.077","0.002","90","","106.03","0.01","90","","3649.4","0.7","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 N3 -","- C43 H47 N3 -","- C172 H188 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100281","13.521","0.001","16.29","0.001","19.298","0.001","90","","98.26","0.01","90","","4206.4","0.5","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H51 Cl2 Fe N3 -","- C46.5 H51 Cl2 Fe N3 -","- C186 H204 Cl8 Fe4 N12 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219032","2020-10-21","18:00:00",""
"4100282","27.0925","0.001","27.0925","","8.2461","0.0003","90","","90","","90","","6052.7","0.3","117","1","117","1","","","","","","","","4","I -4","I -4","82","","","","- C33 H43 N3 O2 -","- C33 H43 N3 O2 -","- C264 H344 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100283","11.5856","0.0005","18.9039","0.001","34.762","0.0016","90","","90","","90","","7613.3","0.6","117","1","117","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H51 Cl2 Fe N3 O2 -","- C40 H51 Cl2 Fe N3 O2 -","- C320 H408 Cl16 Fe8 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100284","35.52","0.003","11.5844","0.001","18.7071","0.0016","90","","90","","90","","7697.6","1.1","117","1","117","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H55 Cl2 Co N3 O3.5 -","- C39 H55 Cl2 Co N3 O3.5 -","- C312 H440 Cl16 Co8 N24 O28 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100285","11.7149","0.0009","13.5659","0.001","20.8201","0.0016","90","","105.229","0.002","90","","3192.6","0.4","117","1","117","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Co N3 O2 -","- C34 H46 Co N3 O2 -","- C136 H184 Co4 N12 O8 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100286","18.2816","0.0007","13.9935","0.0005","18.7573","0.0007","90","","96.312","0.001","90","","4769.5","0.3","117","1","117","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 B Co F15 N3 O2 -","- C52 H46 B Co F15 N3 O2 -","- C208 H184 B4 Co4 F60 N12 O8 -","4","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100287","10.338","0.004","17.76","0.008","11.002","0.005","90","","106.408","0.008","90","","1937.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 O19 V6 -","- C24 H60 O19 V6 -","- C48 H120 O38 V12 -","2","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100288","17.5332","0.0015","17.5332","0.0015","11.224","0.002","90","","90","","120","","2988.2","0.6","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H60 O19 V6 -","- C24 H66 O19 V6 -","- C72 H198 O57 V18 -","3","0.0833333","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100289","10.4567","0.0017","10.5469","0.0017","10.6194","0.0017","88.751","0.004","86.169","0.004","88.269","0.004","1167.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 Cl6 O19 Sb V6 -","- C24 H60 Cl6 O19 Sb V6 -","- C24 H60 Cl6 O19 Sb V6 -","1","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100290","11.1503","0.0019","11.584","0.002","12.829","0.002","109.445","0.003","102.351","0.004","93.771","0.004","1509.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H64 Cl16 O19 Sb2 V6 -","- C26 H64 Cl16 O19 Sb2 V6 -","- C26 H64 Cl16 O19 Sb2 V6 -","1","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100291","20.8343","0.0012","10.083","0.0006","13.5064","0.0008","90","","90","","90","","2837.3","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H36 O19 V6 -","- C12 H36 O19 V6 -","- C48 H144 O76 V24 -","4","1","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates","219223","2020-10-21","18:00:00",""
"4100292","13.943","0.004","13.943","0.004","16.773","0.006","90","","90","","120","","2823.8","1.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl6 O19 Sb V6 -","- C4 H12 Cl2 O6.33333 Sb0.333333 V2 -","- C36 H108 Cl18 O57 Sb3 V18 -","9","0.5","","Daniel, Charles; Hartl, Hans","Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core","Journal of the American Chemical Society","2005","127","40","13978","13987","10.1021/ja052902b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219223","2020-10-21","18:00:00",""
"4100296","12.9478","0.0006","17.5133","0.0009","16.9599","0.0009","90","","111.879","0.001","90","","3568.8","0.3","100","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Er4 Hg2 N8 Se10 -","- C118.712 H184.78 Cl2 Cr2 N4 O8.678 P2 -","- C237.424 H369.56 Cl4 Cr4 N8 O17.356 P4 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178748","2020-10-21","18:00:00",""
"4100297","27.264","0.004","21.61","0.003","17.695","0.003","90","","90.546","0.003","90","","10425","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 Cl0.5 Cr0.5 N5 O3 P2 -","- C58 H59 Cl0.5 Cr0.5 N5 O3 P2 -","- C464 H472 Cl4 Cr4 N40 O24 P16 -","8","2","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100298","14.41","0.004","11.391","0.003","17.611","0.004","90","","103.542","0.005","90","","2810.3","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cr N7 O2 -","- C60 H80 Cr N7 O2 -","- C120 H160 Cr2 N14 O4 -","2","1","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4100306","11.7114","0.0006","11.7098","0.0006","7.9329","0.0004","80.255","0.008","99.759","0.008","39.5969","0.0005","600.46","0.07","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 La4 Mo O12 Zn -","- Cu2.00001 La4 Mo O12 Zn0.99999 -","- Cu4.00002 La8 Mo2 O24 Zn1.99998 -","2","1","","Li, Guobao; You, Liping; Wei, Wutao; Lu, Yue; Ju, Jing; Wannberg, Anders; Rundlöf, Håkan; Zou, Xiaodong; Yang, Tao; Tian, Shujian; Liao, Fuhui; Toyota, Naoki; Lin, Jianhua","La~4~Cu~3-x~Zn~x~MoO~12~: Zinc-Doped Cuprates with Kagomé Lattices","Journal of the American Chemical Society","2005","127","40","14094","14099","10.1021/ja053489a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","278158","2022-09-26","15:28:11",""
"4100348","28.0983","0.0009","12.0933","0.0005","19.9538","0.0007","90","","128.477","0.001","90","","5308","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 Cl4 N4 -","- C62 H64 Cl4 N4 -","- C248 H256 Cl16 N16 -","4","0.5","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","190779","2020-10-21","18:00:00",""
"4100349","13.1254","0.0006","13.804","0.0006","16.7037","0.0007","103.853","0.001","96.6651","0.001","108.434","0.0013","2726.5","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H74 N4 O2 -","- C64 H74 N4 O2 -","- C128 H148 N8 O4 -","2","1","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100350","18.048","0.0003","18.048","0.0003","25.862","0.0006","90","","90","","90","","8424","0.3","200","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C76 H94 N4 O -","- C76 H92 N4 O2 -","- C304 H368 N16 O8 -","4","0.25","","Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko","Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins","Journal of the American Chemical Society","2005","127","42","14540","14541","10.1021/ja052842+","","","","","","","","","","","","","","","","","","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4100364","11.074","0.002","14.812","0.003","18.825","0.004","90","","90","","90","","3087.8","1.1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na2 -","- C24 H48 N8 Na2 -","- C96 H192 N32 Na8 -","4","0.5","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4100365","10.703","0.002","14.608","0.003","18.606","0.004","90","","90","","90","","2909.1","1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H48 N8 Na -","- C24 H48 N8 Na -","- C96 H192 N32 Na4 -","4","0.5","","Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye","Design and Synthesis of a Thermally Stable Organic Electride","Journal of the American Chemical Society","2005","127","","12416","12422","","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4100531","14.636","0.005","25.02","0.009","15.322","0.005","90","","90","","90","","5611","3","90","2","90","2","","","","","","","","7","C m c 21","C 2c -2","36","2{[(μ3-S)(AuCNC6H11)3](PF6)}","","","- C21 H33 Au3 F6 N3 P S -","- C21 H33 Au3 F6 N3 P S -","- C168 H264 Au24 F48 N24 P8 S8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4100532","15.1136","0.0008","26.613","0.0014","15.988","0.0009","90","","90","","90","","6430.7","0.6","190","2","190","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","1","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","264766","2021-05-03","09:48:25",""
"4100533","14.9353","0.0011","15.7717","0.0012","26.457","0.002","90","","91.1412","0.0014","90","","6231","0.8","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H39 Au3 F6 N3 S Sb -","- C24 H39 Au3 F6 N3 S Sb -","- C192 H312 Au24 F48 N24 S8 Sb8 -","8","4","","Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L.","A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~)","Journal of the American Chemical Society","2005","127","31","10838","10839","10.1021/ja052799q","","","","","","","","","","","","","","","","","","","","","has coordinates","264766","2021-05-03","09:48:25",""
"4100545","11.647","0.003","11.647","0.003","26.381","0.008","90","","90","","90","","3578.5","1.5","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H32 Cl2 Ni P2 -","- C44 H32 Cl2 Ni P2 -","- C176 H128 Cl8 Ni4 P8 -","4","0.5","","Evans, David A.; Thomson, Regan J.","Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","30","10506","10507","10.1021/ja053386s","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100568","16.115","0.005","11.761","0.003","8.482","0.003","90","","90","","90","","1607.6","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H24 F2 Ir P -","- C14 H22 F2 Ir P -","- C56 H88 F8 Ir4 P4 -","4","0.5","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100569","12.6958","0.0017","17.033","0.002","17.415","0.002","109.33","0.002","100.572","0.002","90.329","0.002","3484.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 F4 Ir P -","- C15 H24 F4 Ir P -","- C120 H192 F32 Ir8 P8 -","8","4","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100642","9.6034","0.0001","13.323","0.0002","23.3439","0.0003","90","","90","","90","","2986.76","0.07","173","2","173","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C36 H29 N3 O6 U -","- C36 H29 N3 O6 U -","- C144 H116 N12 O24 U4 -","4","0.5","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100643","32.4597","0.0007","15.9145","0.0004","26.1849","0.0004","90","","120.983","0.001","90","","11596.6","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H52 Cl Cs N6 O12 U2 -","- C59 H50 Cl Cs N6 O12 U2 -","- C472 H400 Cl8 Cs8 N48 O96 U16 -","8","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","214503","2020-10-21","18:00:00",""
"4100644","16.3779","0.0007","13.9653","0.0006","16.6928","0.0005","90","","107.568","0.002","90","","3639.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cs F N4 O6 U -","- C38 H32 Cs F N4 O6 U -","- C152 H128 Cs4 F4 N16 O24 U4 -","4","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100645","12.0338","0.0003","12.362","0.0003","14.5835","0.0005","108.135","0.002","97.069","0.001","108.179","0.002","1899.66","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Cl Cs N4 O6 U -","- C38 H32 Cl Cs N4 O6 U -","- C76 H64 Cl2 Cs2 N8 O12 U2 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100646","14.3905","0.0002","15.2086","0.0003","15.5041","0.0003","93.2582","0.0007","107.142","0.0007","100.843","0.001","3161.7","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Cl K N4 O14 U2 -","- C70 H60 Cl K N4 O14 U2 -","- C140 H120 Cl2 K2 N8 O28 U4 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100647","11.8754","0.0004","12.2205","0.0005","14.6154","0.0007","107.79","0.002","96.735","0.002","108.296","0.002","1863.44","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32.5 Cl N4 O6.25 Rb U -","- C38 H32 Cl N4 O6.25 Rb U -","- C76 H64 Cl2 N8 O12.5 Rb2 U2 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100648","12.5316","0.0005","13.5637","0.0004","13.9037","0.0005","99.611","0.002","101.62","0.002","91.385","0.002","2278.26","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H37 Cl3 N4 O11 U2 -","- C43 H37 Cl3 N4 O11 U2 -","- C86 H74 Cl6 N8 O22 U4 -","2","1","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","214503","2020-10-21","18:00:00",""
"4100649","12.5727","0.0005","16.8834","0.0008","9.4789","0.0003","90","","90","","90","","2012.09","0.14","173","2","173","2","","","","","","","","5","C c m 21","C 2c -2c","36","","","","- C22 H17 N3 O4 U -","- C22 H17 N3 O4 U -","- C88 H68 N12 O16 U4 -","4","0.5","","Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari","Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions","Journal of the American Chemical Society","2005","127","11","3831","3837","10.1021/ja042807n","","","","","","","","","","","","","","","","","","","","","has coordinates","214503","2020-10-21","18:00:00",""
"4100664","12.7464","0.0002","15.0932","0.0002","18.6957","0.0003","95.3241","0.0007","95.2033","0.0007","108.001","0.0007","3378.78","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C158 H134 Cl6 N6 O18 -","- C158 H134 Cl6 N6 O18 -","- C158 H134 Cl6 N6 O18 -","1","0.5","","Scherer, Lukas J.; Merz, Leo; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Hermann, B. A.","Conformational Analysis of Self-Organized Monolayers with Scanning Tunneling Microscopy at Near-Atomic Resolution","Journal of the American Chemical Society","2005","127","11","4033","4041","10.1021/ja043638+","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4100884","16.672","0.003","31.875","0.006","16.47","0.003","90","","105.04","0.003","90","","8453","3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H99.5 F9 N1.5 O20 Ru3 S3 -","- C67.37 H83.5 F7.9 N1.5 O18.1 Ru3 S2.94 -","- C269.48 H334 F31.6 N6 O72.4 Ru12 S11.76 -","4","1","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.1032","0.0778","","","0.2145","0.2286","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4100885","16.672","0.003","31.875","0.006","16.47","0.003","90","","105.04","0.003","90","","8453","3","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C0.69 H0.38 F0.07 N0.03 O0.12 Ru0.02 S0.02 -","- C0.448258 H0.545455 F0.0113636 O0.0568182 Ru0.0227273 S0.00333333 -","- C236.68 H288 F6 O30 Ru12 S1.76 -","528","132","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.0676","0.0546","","","0.1545","0.1611","","","","","","1.081","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100886","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","188","2","188","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C118.02 H144 F29.06 N12 O18.12 Ru6 Sb5 -","- C354.06 H432 F87.18 N36 O54.36 Ru18 Sb15 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.1187","0.0834","","","0.2623","0.2869","","","","","","1.16","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100887","19.3059","0.0019","19.3059","0.0019","47.475","0.009","90","","90","","120","","15324","4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 -","- C117 H144 F5.96 O12 Ru6 Sb -","- C351 H432 F17.88 O36 Ru18 Sb3 -","3","0.166667","","Fairchild, Robert M.; Holman, K. Travis","Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior.","Journal of the American Chemical Society","2005","127","47","16364","16365","10.1021/ja055560i","","","0.71073","MoKα","","0.0665","0.0533","","","0.1481","0.1542","","","","","","0.951","","","","has coordinates,has disorder","178754","2020-10-21","18:00:00",""
"4100888","16.2016","0.0017","8.6614","0.0009","17.9532","0.0019","90","","98.067","0.002","90","","2494.4","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl F3 N2 O3 Ru S -","- C22 H30 Cl F3 N2 O3 Ru S -","- C88 H120 Cl4 F12 N8 O12 Ru4 S4 -","4","1","","Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J.","A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene.","Journal of the American Chemical Society","2005","127","47","16400","16401","10.1021/ja055565f","","","0.71073","MoKα","","0.0301","0.0251","","","0.0633","0.0661","","","","","","1.045","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100889","23.064","0.002","10.408","0.001","24.166","0.002","90","","104.88","0.002","90","","5606.5","0.9","293","2","293","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C58 H60 Cl F3 N2 O3 P2 Pd Ru S -","- C232 H240 Cl4 F12 N8 O12 P8 Pd4 Ru4 S4 -","4","1","","Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J.","A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene.","Journal of the American Chemical Society","2005","127","47","16400","16401","10.1021/ja055565f","","","0.71073","MoKα","","0.0935","0.0439","","","0.0949","0.1187","","","","","","1.014","","","","has coordinates","178754","2020-10-21","18:00:00",""
"4100941","5.5199","0.0009","5.6912","0.001","13.456","0.002","83.015","0.003","85.442","0.003","79.488","0.003","411.82","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cu3 Mo2 N2 O10 -","- C10 H10 Cu3 Mo2 N2 O10 -","- C10 H10 Cu3 Mo2 N2 O10 -","1","0.5","","Shores, M. P.; Bartlett, B. M.; Nocera, D. G.","Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite","Journal of the American Chemical Society","2005","127","51","17986","17987","10.1021/ja056666g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133685","2020-10-21","18:00:00",""
"4100942","5.6757","0.0015","5.7121","0.0015","9.447","0.002","95.284","0.005","91.557","0.005","100.248","0.005","299.82","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 Cu3 Mo2 N2 O10 -","- C4 H12 Cu3 Mo2 N2 O10 -","- C4 H12 Cu3 Mo2 N2 O10 -","1","0.5","","Shores, M. P.; Bartlett, B. M.; Nocera, D. G.","Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite","Journal of the American Chemical Society","2005","127","51","17986","17987","10.1021/ja056666g","","","","","","","","","","","","","","","","","","","","","has coordinates","133685","2020-10-21","18:00:00",""
"4100943","12.434","0.002","16.122","0.003","12.667","0.002","90","","104.923","0.004","90","","2453.6","0.8","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","inv-CB6","","","- C36 H56.4 Cl N24 O21.7 -","- C36 H56.428 Cl N24 O21.714 -","- C72 H112.856 Cl2 N48 O43.428 -","2","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4100944","32.2","0.005","32.2","0.005","32.581","0.007","90","","90","","120","","29255","8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","inverted cucurbit[7]uril tetrahydrofuran-clathrate tetradecahydrate","","","- C46 H78 N28 O29 -","- C46 H42 N28 O29.003 -","- C828 H756 N504 O522.054 -","18","1","","Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon","The Inverted Cucurbit[n]uril Family","Journal of the American Chemical Society","2005","127","51","18000","18001","10.1021/ja056988k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4100971","10.222","0.003","12.534","0.004","22.541","0.007","90","","93.281","0.011","90","","2883.2","1.5","200","2","200","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[bmim]OTf","","","- C9 H15 F3 N2 O3 S -","- C9 H15 F3 N2 O3 S -","- C72 H120 F24 N16 O24 S8 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100972","8.774","0.005","8.944","0.01","9.032","0.006","95.949","0.016","114.93","0.013","103.01","0.03","610.2","0.8","183","2","183","2","","","","","","","","5","P -1","-P 1","2","[bmim]PF6","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100973","8.3947","0.0011","13.0106","0.0016","16.582","0.002","90","","90","","90","","1811.1","0.4","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 F6 N2 O4 S2 -","- C11 H20 F6 N2 O4 S2 -","- C44 H80 F24 N8 O16 S8 -","4","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100974","8.7618","0.0001","9.3961","0.0001","11.4246","0.0002","90","","98.72","0.001","90","","929.68","0.02","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[emim]BF4","","","- C6 H11 B F4 N2 -","- C6 H11 B F4 N2 -","- C24 H44 B4 F16 N8 -","4","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100975","8.7916","0.0016","12.911","0.002","18.341","0.003","71.969","0.003","83.335","0.002","88.815","0.002","1966","0.6","125","2","125","0.2","","","","","","","","6","P -1","-P 1","2","[nhexpy]NTF2","","","- C13 H18 F6 N2 O4 S2 -","- C13 H18 F6 N2 O4 S2 -","- C52 H72 F24 N8 O16 S8 -","4","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100976","19.476","0.004","20.192","0.004","18.567","0.004","90","","90","","90","","7302","3","233","2","233","2","","","","","","","","5","P n n m","-P 2 2n","58","CB10 @ bis-diammonium tetraidodide hydrate","","","- C94 H167.87 I4 N54 O54.94 -","- C94 H102 I4 N54 O54.9 -","- C188 H204 I8 N108 O109.8 -","2","0.25","","Liu, Simin; Zavalij, Peter Y.; Isaacs, Lyle","Cucurbit[10]uril.","Journal of the American Chemical Society","2005","127","48","16798","16799","10.1021/ja056287n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4111377","9.2297","0.0005","34.078","0.002","10.9325","0.0006","90","","109.864","0.001","90","","3234","0.3","171.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Ce F -","- C34 H58 Ce F -","- C136 H232 Ce4 F4 -","4","1","","Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen","Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies","Journal of the American Chemical Society","2005","127","","279","292","10.1021/ja0451012","","","0.7107","MoKα","","","0.0291","","","","0.0654","","","","","","1.306","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111378","9.1426","0.0006","10.4602","0.0006","17.096","0.001","94.074","0.001","105.507","0.001","103.56","0.001","1515.83","0.16","132.2","","132.2","","","","","","","","","4","P -1","-P 1","2","Cp*2ScSiH(SiMe3)2","","","- C26 H49 Sc Si3 -","- C26 H42 Sc Si3.004 -","- C52 H84 Sc2 Si6.008 -","2","1","","Aaron D. Sadow; T. Don Tilley","Synthesis and Characterization of Scandium Silyl Complexes of the Type Cp*2ScSiHRR'. σ-Bond Metathesis Reactions and Catalytic Dehydrogenative Silation of Hydrocarbons","Journal of the American Chemical Society","2005","127","","643","656","10.1021/ja040141r","","","0.7107","MoKα","","0.0819","0.065","","0.0959","0.09","0.09","","","","","","2.39","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111379","9.9125","0.0008","20.937","0.002","16.232","0.001","90","0.001","95.289","0.001","90","0.001","3354.4","0.5","135.2","","135.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Sc Si2 -","- C38 H2 Sc Si2 -","- C152 H8 Sc4 Si8 -","4","1","","Aaron D. Sadow; T. Don Tilley","Synthesis and Characterization of Scandium Silyl Complexes of the Type Cp*2ScSiHRR'. σ-Bond Metathesis Reactions and Catalytic Dehydrogenative Silation of Hydrocarbons","Journal of the American Chemical Society","2005","127","","643","656","10.1021/ja040141r","","","0.7107","MoKα","","0.0778","0.0442","","0.0612","0.0534","0.0534","","","","","","1.455","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111380","16.2746","0.0011","9.462","0.0007","18.9247","0.0014","90","","95.45","0.002","90","","2901","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O -","- C34 H52 O -","- C136 H208 O4 -","4","2","","David A. Powell; Toshihide Maki; Gregory C. Fu","Stille Cross-Couplings of Unactivated Secondary Alkyl Halides Using Monoorganotin Reagents","Journal of the American Chemical Society","2005","127","","510","511","10.1021/ja0436300","","","0.71073","MoKα","","0.0764","0.0535","","","0.1138","0.1252","","","","","","1.02","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111381","11.34","0.012","11.984","0.012","12.27","0.03","101.22","0.03","111.66","0.03","108.49","0.012","1375","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H37 N3 P Si2 Ta -","- C24 H38.5 N2.5 P Si2 Ta -","- C48 H77 N5 P2 Si4 Ta2 -","2","1","","Michael P. Shaver; Michael D. Fryzuk","Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine","Journal of the American Chemical Society","2005","127","","500","501","10.1021/ja043732q","","","0.71073","MoKα","","0.0276","0.0265","","","0.0639","0.0649","","","","","","1.101","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111382","11.6976","0.0011","19.494","0.0011","23.2595","0.0015","90","","90.216","0.004","90","","5303.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 N6 P2 Si4 Ta2 -","- C48 H62 N6 P2 Si4 Ta2 -","- C192 H248 N24 P8 Si16 Ta8 -","4","1","","Michael P. Shaver; Michael D. Fryzuk","Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine","Journal of the American Chemical Society","2005","127","","500","501","10.1021/ja043732q","","","0.71069","MoKα","","0.1225","0.0767","","","0.1651","0.1872","","","","","","1.029","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111383","14.75","0.003","10.849","0.002","16.712","0.003","90","","114.29","0.03","90","","2437.6","1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H61 B N2 P2 Ru -","- C54 H61 B N2 P2 Ru -","- C108 H122 B2 N4 P4 Ru2 -","2","1","","Rongwei Guo; Robert H. Morris; Datong Song","Enantioselective Tandem Michael Addition/H2-Hydrogenation Catalyzed by Ruthenium Hydride Borohydride Complexes Containing β-aminophosphine Ligands1","Journal of the American Chemical Society","2005","127","","516","517","10.1021/ja043782v","","","0.71073","MoKα","","0.0539","0.0426","","","0.1019","0.1093","","","","","","1.025","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111384","9.9809","0.0012","14.584","0.002","25.324","0.004","93.629","0.012","93.227","0.011","104.668","0.012","3548.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H79 F12 N3 O11 P2 -","- C57 H79 F12 N3 O11 P2 -","- C114 H158 F24 N6 O22 P4 -","2","1","","Feihe Huang; Devdatt S. Nagvekar; Carla Slebodnick; Harry W. Gibson","A Supramolecular Triarm Star Polymer from a Homotritopic Tris(Crown Ether) Host and a Complementary Monotopic Paraquat-Terminated Polystyrene Guest by a Supramolecular Coupling Method","Journal of the American Chemical Society","2005","127","","484","485","10.1021/ja0438516","","x-ray","0.71073","MoKα","","0.1583","0.1054","","","0.2828","0.3244","","","","","","1.002","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111385","9.5962","0.0005","12.6495","0.0007","14.5038","0.0008","104.342","0.001","90.559","0.001","105.38","0.001","1639.25","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 O8 Re2 Sn2 -","- C32 H20 O8 Re2 Sn2 -","- C64 H40 O16 Re4 Sn4 -","2","1","","Richard D. Adams; Burjor Captain; Mikael Johansson; Jack L. Smith","New Rhenium-Tin Cluster Adds Palladium Phosphine Groups across Re-Sn Bonds","Journal of the American Chemical Society","2005","127","","488","489","10.1021/ja0443169","","","0.71073","MoKα","","0.0491","0.0389","","","0.0956","0.103","","","","","","1.019","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111386","10.8119","0.0007","12.4429","0.0008","12.9946","0.0008","80.117","0.001","68.988","0.001","71.927","0.001","1547.82","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","- C56 H74 O8 P2 Pd2 Re2 Sn2 -","1","0.5","","Richard D. Adams; Burjor Captain; Mikael Johansson; Jack L. Smith","New Rhenium-Tin Cluster Adds Palladium Phosphine Groups across Re-Sn Bonds","Journal of the American Chemical Society","2005","127","","488","489","10.1021/ja0443169","","","0.71073","MoKα","","0.042","0.0365","","","0.0887","0.0913","","","","","","1.042","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111387","26.157","0.003","15.602","0.003","27.03","0.004","90","","115.301","0.007","90","","9973","3","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C116.35 H112.7 B Cl0.7 Cu F4 N12 O2 -","- C116.355 H112.71 B Cl0.71 Cu F4 N12 O2 -","- C465.42 H450.84 B4 Cl2.84 Cu4 F16 N48 O8 -","4","1","","Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara","Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper","Journal of the American Chemical Society","2005","127","","490","491","10.1021/ja045093p","","","0.3282","synchrotron","","0.1508","0.1088","","","0.2746","0.3132","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111388","14.242","0.006","19.819","0.009","25.943","0.012","90","","93.533","0.006","90","","7309","6","113.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 B Cl2 Cu F4 N4 -","- C85.2 H80 B Cl1.2 Cu F4 N4 -","- C340.8 H320 B4 Cl4.8 Cu4 F16 N16 -","4","1","","Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara","Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper","Journal of the American Chemical Society","2005","127","","490","491","10.1021/ja045093p","","","0.7107","MoKα","","","0.096","","","","0.105","","","","","","6.848","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111389","7.9051","0.0006","10.8742","0.0008","17.6443","0.0013","90","","98.954","0.002","90","","1498.25","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0552","0.0457","","","0.1301","0.1463","","","","","","0.565","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111390","10.6133","0.0008","11.0274","0.0009","29.423","0.002","90","","90","","90","","3443.6","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","2","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0568","0.0421","","","0.111","0.13","","","","","","0.712","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111391","8.0072","0.001","21.705","0.003","6.8803","0.0009","90","","90","","90","","1195.8","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0736","0.0559","","","0.1752","0.2123","","","","","","0.854","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111392","9.9267","0.0008","6.2157","0.0005","19.2178","0.0015","90","","94.75","0.001","90","","1181.69","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0592","0.0535","","","0.1557","0.1687","","","","","","0.643","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111393","5.5895","0.0006","11.4355","0.0011","12.0083","0.0012","72.662","0.002","85.015","0.002","83.838","0.002","727.23","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","","Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh","Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles","Journal of the American Chemical Society","2005","127","","605","613","10.1021/ja045694g","","","0.71073","MoKα","","0.0718","0.0653","","","0.1894","0.1984","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111394","7.1219","0.0007","20.2661","0.0019","22.218","0.002","90","","90","","90","","3206.8","0.5","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H26 N4 Zn -","- C48 H26 N4 Zn -","- C192 H104 N16 Zn4 -","4","1","","Mahendra Nath; Maren Pink; Jeffrey M. Zaleski","Controlling Both Ground- and Excited-State Thermal Barriers to Bergman Cyclization with Alkyne Termini Substitution","Journal of the American Chemical Society","2005","127","","478","479","10.1021/ja045979t","","","0.71073","MoKα","","0.0502","0.0366","","","0.0827","0.0888","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111395","13.021","0.004","18.238","0.004","19.036","0.005","90","","104.93","0.009","90","","4368","2","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H38 N4 -","- C60 H38 N4 -","- C240 H152 N16 -","4","0.5","","Mahendra Nath; Maren Pink; Jeffrey M. Zaleski","Controlling Both Ground- and Excited-State Thermal Barriers to Bergman Cyclization with Alkyne Termini Substitution","Journal of the American Chemical Society","2005","127","","478","479","10.1021/ja045979t","","","0.71073","MoKα","","0.1482","0.0648","","","0.1449","0.1794","","","","","","0.974","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111396","8.841","0.003","17.598","0.006","12.876","0.005","90","","98.67","0.03","90","","1980.4","1.2","293","2","293","2","","","","","","","synthesized by the authors, see text","3","P 1 21 1","P 2yb","4","","","","- C33 H46 O21 -","- C33 H46 O21 -","- C66 H92 O42 -","2","1","","Yvan Guindon; Mohammed Bencheqroun; Abderrahim Bouzide","Synthesis of Postulated Molecular Probes: Stereoselective Free-Radical-MediatedC-Glycosylation in Tandem with Hydrogen Transfer","Journal of the American Chemical Society","2005","127","","554","558","10.1021/ja046389y","","","1.54056","CuKα","","0.0882","0.0469","","0.1098","","0.0954","","","0.766","","","1.019","","","","has coordinates,has disorder","178884","2020-10-21","18:00:00",""
"4111397","6.8915","0.0012","7.0243","0.0012","10.7781","0.0019","103.58","0.003","93.139","0.003","111.337","0.003","466.7","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H32 Br2 N2 O2 -","- C13 H32 Br2 N2 O2 -","- C13 H32 Br2 N2 O2 -","1","1","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.0316","0.0294","","","0.0718","0.0728","","","","","","1.001","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111398","5.0921","0.0007","11.1143","0.0014","13.5598","0.0017","76.565","0.002","80.455","0.002","84.162","0.002","734.48","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 Br2 N4 -","- C11 H18 Br2 N4 -","- C22 H36 Br4 N8 -","2","1","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.0513","0.0406","","","0.1065","0.1134","","","","","","1.065","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111399","21.367","0.006","19.888","0.005","23.787","0.006","90","","90","","90","","10108","5","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H28 Br2 N2 -","- C13 H28 Br2 N2 -","- C312 H672 Br48 N48 -","24","3","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.1012","0.0696","","","0.1619","0.1806","","","","","","1.055","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111400","10.824","0.004","15.726","0.006","22.462","0.009","90","","92.693","0.006","90","","3819","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[LZn2Ca(MeOH)2](ClO4)2","","","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C30 H34 Ca Cl2 N4 O20 Zn2 -","- C120 H136 Ca4 Cl8 N16 O80 Zn8 -","4","0.5","","Shigehisa Akine; Takanori Taniguchi; Toshiyuki Saiki; Tatsuya Nabeshima","Ca2± and Ba2±Selective Receptors Based on Site-Selective Transmetalation of Multinuclear Polyoxime-Zinc(II) Complexes","Journal of the American Chemical Society","2005","127","","540","541","10.1021/ja046790k","","","0.71069","MoKα","","0.0434","0.0378","","","0.0874","0.0899","","","","","","1.057","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111401","10.5992","0.0013","12.4799","0.0016","16.162","0.002","96.715","0.002","92.452","0.002","93.815","0.002","2115.7","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","(Pentamethylcyclopentadienyldicarbonyl)(ferrocenylborylene) (tricyclohexylphosphinobromopalladium)","(Pentamethylcyclopentadienyldicarbonyl)(ferrocenylborylene) (tricyclohexylphosphinobromopalladium)","","- C43.5 H61 B Br Fe2 O2 P Pd -","- C43.5 H61 B Br Fe2 O2 P Pd -","- C87 H122 B2 Br2 Fe4 O4 P2 Pd2 -","2","1","","Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Fabian Seeler; Katharina Uttinger","Heterodinuclear Bridged Borylene Complexes","Journal of the American Chemical Society","2005","127","","1386","1387","10.1021/ja0426746","","","0.71073","MoKα","","0.0326","0.0271","","","0.0675","0.0732","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111402","9.2329","0.0012","9.2329","0.0012","9.3868","0.0009","90","","90","","90","","800.19","0.17","295","2","295","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C H K N2 O2 -","- C H K N2 O2 -","- C8 H8 K8 N16 O16 -","8","0.5","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0167","0.015","","0.0351","0.0335","","","","1.065","1.039","1.039","","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111403","8.2137","0.0008","14.215","0.002","7.9909","0.001","90","","99.816","0.009","90","","919.3","0.2","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H25 K N2 O8 -","- C13 H25 K N2 O8 -","- C26 H50 K2 N4 O16 -","2","1","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0478","0.0395","","0.1122","0.1033","","","","1.105","1.106","1.106","","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111404","4.6921","0.0001","12.7144","0.00029","7.849","0.0002","90","","99.2655","0.0012","90","","462.14","0.019","293","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H Cs N2 O2 -","- C H Cs N2 O2 -","- C4 H4 Cs4 N8 O8 -","4","1","","Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand","Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding","Journal of the American Chemical Society","2005","127","","1360","1361","10.1021/ja042877u","","","0.71073","MoKα","","0.0231","0.0184","","","0.0373","0.0386","","","","","","1.187","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111405","10.3095","0.0017","10.4553","0.0018","35.754","0.006","90","","90","","90","","3853.9","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C53 H40 O3 -","- C53 H40 O3 -","- C212 H160 O12 -","4","1","","Aditya K. Unni; Norito Takenaka; Hisashi Yamamoto; Viresh H. Rawal","Axially Chiral Biaryl Diols Catalyze Highly Enantioselective Hetero-Diels-Alder Reactions through Hydrogen Bonding","Journal of the American Chemical Society","2005","127","","1336","1337","10.1021/ja044076x","","","0.71073","MoKα","","0.0486","0.0467","","","0.0909","0.0916","","","","","","1.206","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111406","12.379","0.003","15.315","0.003","13.674","0.003","90","","91.05","0.004","90","","2591.9","1","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 N O Th -","- C28 H41 N O Th -","- C112 H164 N4 O4 Th4 -","4","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0387","0.0282","","","0.0789","0.0846","","","","","","1.462","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111407","9.812","0.002","15.279","0.003","10.093","0.002","90","","96.897","0.004","90","","1502.2","0.5","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H45 N O Th -","- C34 H45 N O Th -","- C68 H90 N2 O2 Th2 -","2","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0614","0.0528","","","0.1336","0.1393","","","","","","1.156","","","","has coordinates,has disorder","189367","2020-10-21","18:00:00",""
"4111408","10.4834","0.0008","23.4188","0.0018","11.3589","0.0009","90","","94.019","0.001","90","","2781.9","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N O U -","- C32 H41 N O U -","- C128 H164 N4 O4 U4 -","4","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.157","0.0864","","","0.118","0.1346","","","","","","1.136","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111409","10.4583","0.0004","23.2441","0.0008","11.4942","0.0004","90","","93.672","0.001","90","","2788.43","0.17","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 N O Th -","- C32 H41 N O Th -","- C128 H164 N4 O4 Th4 -","4","1","","Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger","A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes","Journal of the American Chemical Society","2005","127","","1338","1339","10.1021/ja044153o","","","0.71073","MoKα","","0.0319","0.0231","","","0.0595","0.0614","","","","","","1.137","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111410","17.664","0.003","14.848","0.002","18.129","0.003","90","","112.14","0.002","90","","4404.2","1.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O12 Zn3 -","- C26 H32 N2 O12 Zn3 -","- C156 H192 N12 O72 Zn18 -","6","1.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.042","0.0281","","","0.0748","0.082","","","","","","1.032","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111411","29.6774","0.0019","9.6295","0.0006","7.9812","0.0005","90","","97.69","0.001","90","","2260.3","0.2","158","2","158","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Co N2 O7 -","- C24 H28 Co N2 O7 -","- C96 H112 Co4 N8 O28 -","4","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0795","0.0541","","","0.1546","0.166","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111412","10.1023","0.0011","14.412","0.0016","14.9635","0.0017","70.59","0.002","72.752","0.002","87.142","0.002","1959.5","0.4","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H43 Cd2 N O10 -","- C46 H37 Cd2 N O10 -","- C92 H74 Cd4 N2 O20 -","2","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0368","0.0305","","","0.0809","0.0839","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111413","9.8294","0.0004","12.1098","0.0005","14.6279","0.0006","109.75","0.001","103.613","0.001","100.14","0.001","1529.29","0.11","158","2","158","2","","","","","","","","5","P -1","-P 1","2","MOF-80","","","- C33 H30 N2 O10 Tb -","- C33 H30 N2 O10 Tb -","- C66 H60 N4 O20 Tb2 -","2","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0587","0.0373","","","0.0742","0.0785","","","","","","0.939","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111414","8.3639","0.0003","17.9914","0.0008","9.9617","0.0004","90","","102.687","0.001","90","","1462.42","0.1","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O6 Pb -","- C12 H16 O6 Pb -","- C48 H64 O24 Pb4 -","4","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0282","0.0223","","","0.0586","0.0613","","","","","","1.101","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111415","19.2301","0.0016","7.2386","0.0006","8.8481","0.0007","90","","90","","90","","1231.65","0.17","298","2","298","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2.75 H Co0.25 N0.25 O1.25 -","- C2.75 H Co0.25 N0.25 O1.25 -","- C44 H16 Co4 N4 O20 -","16","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0364","0.0329","","","0.0877","0.0896","","","","","","1.105","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111416","13.686","0.002","18.252","0.003","14.906","0.003","90","","101.07","0.003","90","","3654.2","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H8 Cd1.5 N O8 -","- C18 H8 Cd1.5 N O8 -","- C144 H64 Cd12 N8 O64 -","8","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0298","0.0258","","","0.066","0.0677","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111417","24.7821","0.0016","10.5842","0.0007","17.4219","0.0011","90","","129.932","0.001","90","","3504.1","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MnBDC(DEF)","","","- C17 H17 Mn1.5 N O7 -","- C17 H17 Mn1.5 N O7 -","- C136 H136 Mn12 N8 O56 -","8","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0896","0.0537","","","0.1165","0.1262","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111418","25.9322","0.0015","25.9322","0.0015","6.8365","0.0004","90","","90","","120","","3981.5","0.4","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H20 N2 O10 Zn2 -","- C14 H2 N2 O8.98 Zn2 -","- C126 H18 N18 O80.82 Zn18 -","9","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0527","0.0464","","","0.1104","0.1133","","","","","","1.154","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111419","10.6926","0.0011","10.6727","0.0011","15.7533","0.0016","90","","95.865","0.002","90","","1788.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N3 O9 S Tb -","- C12 H16 N3 O9 S Tb -","- C48 H64 N12 O36 S4 Tb4 -","4","1","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.0436","0.0415","","","0.0982","0.0989","","","","","","1.333","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111420","10.2792","0.0011","10.2792","0.0011","14.5376","0.0015","90","","90","","90","","1536.1","0.3","148","2","148","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H13 N O8.5 Tb -","- C9 H3 O25 Tb -","- C36 H12 O100 Tb4 -","4","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.045","0.026","","","0.025","","","","","","","0.89","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111421","7.261","0.004","7.261","0.004","25.471","0.019","90","","90","","90","","1342.9","1.4","158","2","158","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C7 H6 O4 Zn -","- C7 H6 O4 Zn -","- C56 H48 O32 Zn8 -","8","0.5","","Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi","Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units","Journal of the American Chemical Society","2005","127","","1504","1518","10.1021/ja045123o","","","0.71073","MoKα","","0.081","0.0586","","","0.1553","0.1687","","","","","","1.093","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111422","6.7657","0.0003","16.3874","0.0007","12.2285","0.0005","90","","90.023","0.001","90","","1355.8","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","98312z","","","- C14 H46 Ga2 N4 Si4 -","- C14 H46 Ga2 N4 Si4 -","- C28 H92 Ga4 N8 Si8 -","2","0.5","","Bethany L. Kormos; Jolin A. Jegier; Paul C. Ewbank; Udo Pernisz; Victor G. Young; Christopher J. Cramer; Wayne L. Gladfelter","Oligomeric Rods of Alkyl- and Hydridogallium Imides","Journal of the American Chemical Society","2005","127","","1493","1503","10.1021/ja045149f","","","0.71073","MoKα","","0.0394","0.0306","","","0.0673","0.0701","","","","","","1.094","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111423","6.3815","0.0002","16.4835","0.0006","10.9674","0.0004","90","","106.542","0.001","90","","1105.91","0.07","90","1","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","BrPh-cyclopropane","(1S, 2S) 2-(Acetoxy-phenyl-methyl)-2-(2-ethoxy-vinyl)-1-(4-bromo- phenyl)-cyclopropanecarboxylic acid methyl ester","","- C24 H25 Br O5 -","- C24 H25 Br O5 -","- C48 H50 Br2 O10 -","2","1","","Liang Deng; Anthony J. Giessert; Oksana O. Gerlitz; Xing Dai; Steven T. Diver; Huw M. L. Davies","Metal Carbene-Promoted Sequential Transformations for the Enantioselective Synthesis of Highly Functionalized Cycloheptadienes","Journal of the American Chemical Society","2005","127","","1342","1343","10.1021/ja045173t","","","0.71073","MoKα","","0.0263","0.0249","","","0.0618","0.0622","","","","","","1.036","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111424","10.8185","0.0002","13.0054","0.0003","16.0637","0.0003","83.061","0.001","77.156","0.001","81.597","0.001","2170.78","0.08","100","1","100","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H57 Cl N2 P2 Ru -","- C54 H57 Cl N2 P2 Ru -","- C108 H114 Cl2 N4 P4 Ru2 -","2","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0578","0.0478","","","0.122","0.1289","","","","","","1.017","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111425","13.3032","0.0006","14.062","0.0004","18.4444","0.0008","81.56","0.002","81.239","0.002","89.956","0.002","3372.4","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 Cl N2 P2 Ru -","- C38 H38 Cl N2 P2 Ru -","- C152 H152 Cl4 N8 P8 Ru4 -","4","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0892","0.0574","","","0.1423","0.1596","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111426","11.0741","0.0002","13.71","0.0003","16.8074","0.0003","84.21","0.001","82.089","0.001","67.678","0.001","2334.82","0.08","150","1","150","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H55 N2 O2 P3 Ru -","- C54 H55 N2 O2 P3 Ru -","- C108 H110 N4 O4 P6 Ru2 -","2","2","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0441","0.0352","","","0.0726","0.0761","","","","","","1.034","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111427","10.4107","0.0001","14.1121","0.0002","27.0744","0.0005","97.828","0.008","97.705","0.001","101.796","0.001","3803.25","0.14","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H85 N2 P4 Ru2 -","- C92 H85 N2 P4 Ru2 -","- C184 H170 N4 P8 Ru4 -","2","1","","Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris","A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst?","Journal of the American Chemical Society","2005","127","","1870","1882","10.1021/ja039396f","","","0.71073","MoKα","","0.0676","0.0446","","","0.1018","0.1106","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111428","11.84","0.005","14.971","0.007","16.114","0.007","90","","90.842","0.008","90","","2856","2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cl P2 Pt S -","- C32 H29 Cl P2 Pt S -","- C128 H116 Cl4 P8 Pt4 S4 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0832","0.07","","","0.1622","0.1686","","","","","","1.195","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111429","19.899","0.003","9.5261","0.0014","15.329","0.002","90","","94.378","0.003","90","","2897.3","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 N2 Pd S3 -","- C25 H48 N2 Pd S3 -","- C100 H192 N8 Pd4 S12 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0882","0.0486","","","0.1156","0.1367","","","","","","1.026","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111430","8.8102","0.0014","12.479","0.002","16.025","0.003","90","","90","","90","","1761.8","0.5","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Cl2 Fe N2 Ni S2 -","- C11 H24 Cl2 Fe N2 Ni S2 -","- C44 H96 Cl8 Fe4 N8 Ni4 S8 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0736","0.0709","","","0.1692","0.172","","","","","","1.098","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111431","9.5118","0.0005","15.7143","0.0008","21.7253","0.0011","90","","93.42","0.001","90","","3241.5","0.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H78 Cl6 N4 Ni5 P2 S4 -","- C58 H78 Cl6 N4 Ni5 P2 S4 -","- C116 H156 Cl12 N8 Ni10 P4 S8 -","2","0.5","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0591","0.0517","","","0.0898","0.0918","","","","","","1.349","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111432","8.537","0.003","14.338","0.005","15.089","0.005","98.508","0.009","101.711","0.009","106.176","0.007","1695.3","1","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H39 Cl F6 N2 Ni P2 Pd S2 -","- C29 H39 Cl F6 N2 Ni P2 Pd S2 -","- C58 H78 Cl2 F12 N4 Ni2 P4 Pd2 S4 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1331","0.0634","","","0.1324","0.1577","","","","","","0.988","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111433","8.521","0.002","14.353","0.004","15.153","0.004","98.851","0.006","101.594","0.006","106.111","0.006","1700.3","0.8","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H39 Cl F6 N2 Ni P2 Pt S2 -","- C29 H39 Cl F6 N2 Ni P2 Pt S2 -","- C58 H78 Cl2 F12 N4 Ni2 P4 Pt2 S4 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0982","0.0551","","","0.1117","0.1276","","","","","","1.032","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111434","9.888","0.0018","10.803","0.002","15.035","0.003","95.877","0.004","96.162","0.004","95.472","0.004","1579.2","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H38 F6 N2 Ni2 P2 S3 -","- C25 H38 F6 N2 Ni2 P2 S3 -","- C50 H76 F12 N4 Ni4 P4 S6 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0724","0.0586","","","0.1614","0.1778","","","","","","1.03","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111435","9.8976","0.0015","10.9346","0.0017","15.043","0.002","94.906","0.004","96.752","0.004","94.115","0.004","1605.3","0.4","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H38 F6 N2 Ni P2 Pd S3 -","- C25 H38 F6 N2 Ni P2 Pd S3 -","- C50 H76 F12 N4 Ni2 P4 Pd2 S6 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0764","0.0586","","","0.148","0.1633","","","","","","1.082","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111436","9.731","0.003","10.97","0.003","15.1","0.004","94.878","0.006","96.693","0.005","93.495","0.006","1591","0.8","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H38 F6 N2 Ni P2 Pt S3 -","- C25 H38 F6 N2 Ni P2 Pt S3 -","- C50 H76 F12 N4 Ni2 P4 Pt2 S6 -","2","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.082","0.0534","","","0.1222","0.1398","","","","","","1.004","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111437","11.4615","0.0019","14.999","0.003","24.035","0.004","90","","90","","90","","4131.9","1.3","273","2","273","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 Cl2 N2 Ni O2 P2 Pt S2 -","- C44 H42 Cl2 N2 Ni O2 P2 Pt S2 -","- C176 H168 Cl8 N8 Ni4 O8 P8 Pt4 S8 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0704","0.0482","","","0.09","0.0974","","","","","","0.996","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111438","21.0484","0.0018","30.319","0.003","31.941","0.003","90","","91.844","0.002","90","","20373","3","273","2","273","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C83 H119.5 Fe4 N4.5 Ni O0.5 S15 -","- C83.5 H104 Fe4 N4 Ni O0.5 S15 -","- C668 H832 Fe32 N32 Ni8 O4 S120 -","8","2","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1214","0.0725","","","0.1706","0.1987","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111439","23.596","0.003","24.803","0.003","40.915","0.005","86.471","0.002","80.242","0.002","64.576","0.002","21312","5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H215 Fe8 N7 S27 -","- C166.5 H203 Fe8 N3 S27 -","- C666 H812 Fe32 N12 S108 -","4","2","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.1579","0.0802","","","0.2058","0.2517","","","","","","1.016","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111440","11.9103","0.0009","15.6951","0.001","12.4372","0.0009","90","","105.863","0.003","90","","2236.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorene-bound bis(styryl)benzene","","","- C56 H46 O2 Si2 -","- C56 H46 O2 Si2 -","- C112 H92 O4 Si4 -","2","0.5","","Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi","Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges","Journal of the American Chemical Society","2005","127","","1638","1639","10.1021/ja042964m","","","0.7107","MoKα","","0.0762","0.0649","","","0.1534","0.1605","","","","","","1.087","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111441","10.488","0.002","23.117","0.005","23.601","0.005","90","0.0011","91.0748","0.0011","90","0.0011","5721","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bridged-LOPVs 13mer","","","- C138 H136 Si4 -","- C138 H136 Si4 -","- C276 H272 Si8 -","2","0.5","","Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi","Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges","Journal of the American Chemical Society","2005","127","","1638","1639","10.1021/ja042964m","","","0.7107","MoKα","","0.1052","0.083","","","0.2042","0.2204","","","","","","1.082","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111442","9.3478","0.0009","12.7131","0.0012","13.9069","0.0013","97.349","0.003","109.127","0.002","97.243","0.002","1523.5","0.3","128","2","128","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 N3 O8 S -","- C32 H31 N3 O8 S -","- C64 H62 N6 O16 S2 -","2","1","","Mu-Hyun Baik; Erich W. Baum; Matthew C. Burland; P. Andrew Evans","Diastereoselective Intermolecular Rhodium-Catalyzed [4 + 2 + 2] Carbocyclization Reactions: Computational and Experimental Evidence for the Intermediacy of an Alternative Metallacycle Intermediate","Journal of the American Chemical Society","2005","127","","1602","1603","10.1021/ja043521l","","","0.71073","MoKα","","0.0509","0.0441","","","0.121","0.1263","","","","","","1.059","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111443","14.4595","0.0018","15.121","0.0015","19.5755","0.0008","86.599","0.009","68.876","0.005","61.576","0.009","3478.1","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H91 B2 Ir N6 O3 -","- C81 H91 B2 Ir N6 O3 -","- C162 H182 B4 Ir2 N12 O6 -","2","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0338","0.0245","","0.051","0.048","0.051","","","1.099","","","1.099","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111444","9.1802","0.0019","11.5828","0.0018","23.581","0.004","90","","101.193","0.019","90","","2459.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F6 Ir N4 P -","- C23 H28 F6 Ir N4 P -","- C92 H112 F24 Ir4 N16 P4 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0911","0.0529","","0.1314","0.115","0.1314","","","1.064","","","1.064","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111445","13.072","0.002","12.454","0.002","18.86","0.003","90","","109.734","0.011","90","","2890.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 F12 Ir N4 P2 -","- C23 H28 F12 Ir N4 P2 -","- C92 H112 F48 Ir4 N16 P8 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0546","0.0393","","0.1011","0.0939","0.1011","","","1.051","","","1.051","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111446","13.9423","0.001","13.2295","0.0014","14.7294","0.0015","90","","116.392","0.01","90","","2433.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F6 Ir N4 P -","- C22 H26 F6 Ir N4 P -","- C88 H104 F24 Ir4 N16 P4 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0619","0.0444","","0.114","0.1066","0.114","","","1.106","","","1.106","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111447","12.1371","0.001","14.9716","0.0012","19.096","0.002","73.115","0.008","80.005","0.008","73.965","0.008","3174.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H61 F24 Ir2 N11 P4 -","- C50 H61 F24 Ir2 N11 P4 -","- C100 H122 F48 Ir4 N22 P8 -","2","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0587","0.0379","","0.0966","0.0882","0.0966","","","1.065","","","1.065","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111448","12.5","0.002","12.837","0.004","13.093","0.005","61.49","0.03","75.105","0.019","68.503","0.018","1709","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H33 F12 Ir N5 O P2 S -","- C25 H33 F12 Ir N5 O P2 S -","- C50 H66 F24 Ir2 N10 O2 P4 S2 -","2","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0538","0.0408","","0.1101","0.1032","0.1101","","","1.093","","","1.093","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111449","10.5432","0.0002","16.3409","0.0003","13.4964","0.0003","90","","94.8074","0.0009","90","","2317.05","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Cl F6 Ir N4 P -","- C21 H24 Cl F6 Ir N4 P -","- C84 H96 Cl4 F24 Ir4 N16 P4 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0536","0.0285","","0.0582","0.0528","0.0582","","","1.023","","","1.023","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111450","17.6536","0.0018","12.464","0.001","27.7263","0.0017","90","","90.002","0.007","90","","6100.7","0.9","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 B2 Ir N5 O2 -","- C72 H70 B2 Ir N5 O2 -","- C288 H280 B8 Ir4 N20 O8 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.1084","0.0446","","0.1756","0.1221","0.1756","","","0.656","","","0.656","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111451","16.027","0.004","14.913","0.004","23.619","0.008","90","","90","","90","","5645","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BiCych-18-crown-6 K * DNB","Bis(cyclohexano)-18-crown-6 potassium dinitrobenzene","","- C26 H40 K N2 O10 -","- C26 H40 K N2 O10 -","- C208 H320 K8 N16 O80 -","8","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.1355","0.0492","","","0.0971","0.1114","","","","","","0.762","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111452","12.1156","0.0006","12.8981","0.0007","12.9427","0.0007","111.682","0.001","91.833","0.001","110.057","0.001","1736.03","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(Benzo-15-crown)2K*DNB","Bis(benzo-15-crown-5)potassium dinitrobenzene","","- C34 H44 K N2 O14 -","- C34 H44 K N2 O14 -","- C68 H88 K2 N4 O28 -","2","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.0605","0.0471","","0.124","","0.1105","","","1.016","","","1.038","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111453","18.232","0.0009","11.6937","0.0006","13.9494","0.0007","90","","107.036","0.001","90","","2843.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CryptK * DNB","Potassium(cryptand) dinitrobenzene","","- C24 H40 K N4 O10 -","- C24 H40 K N4 O10 -","- C96 H160 K4 N16 O40 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.0452","0.0386","","0.1054","","0.097","","","1.025","","","1.044","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111454","20.411","0.003","8.3205","0.0012","22.718","0.004","90","","103.938","0.004","90","","3744.6","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(18-crown-6 potassium) dinitrobenzene","","- C30 H52 K2 N2 O16 -","- C30 H52 K2 N2 O16 -","- C120 H208 K8 N8 O64 -","4","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.0933","0.0542","","0.1513","","0.1244","","","1.006","","","1.06","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111455","8.551","0.001","10.112","0.002","26.361","0.005","91.776","0.005","98.641","0.005","99.773","0.01","2217.1","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H64 B F3 K N O7.5 -","- C44 H64 B F3 K N O7.5 -","- C88 H128 B2 F6 K2 N2 O15 -","2","1","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1069","0.0484","","","0.1036","0.1238","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111456","13.9617","0.0012","14.0737","0.0011","17.2592","0.0014","93.22","0.004","110.871","0.003","98.433","0.003","3112.9","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H45.5 N3 O Pd -","- C30.485 H45.48 N3 O Pd -","- C121.94 H181.92 N12 O4 Pd4 -","4","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1446","0.0493","","","0.0899","0.1095","","","","","","0.773","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111457","23.574","0.002","14.38","0.003","31.49","0.004","90","","90","","90","","10675","3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26.22 H36.44 Cl0.44 N2 O Pd -","- C26.22 H36 Cl0.44 N2 O Pd -","- C419.52 H576 Cl7.04 N32 O16 Pd16 -","16","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.0778","0.0446","","","0.1086","0.125","","","","","","1.064","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111458","14.004","0.004","16.841","0.005","21.172","0.006","85.573","0.017","80.042","0.016","88.58","0.02","4903","2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H69.5 B F3 K N2.5 O7 P Pd -","- C42 H69.5 B F3 K N2.5 O7 P Pd -","- C168 H278 B4 F12 K4 N10 O28 P4 Pd4 -","4","2","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1237","0.0629","","","0.1249","0.1561","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111459","23.5116","0.0012","17.1359","0.0008","27.4042","0.0014","90","","113.717","0.002","90","","10108.5","0.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H132 Cl4 N9 O3 Pd3 -","- C92 H131.992 Cl3.992 N9 O3 Pd3 -","- C368 H527.968 Cl15.968 N36 O12 Pd12 -","4","1","","Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz","Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes","Journal of the American Chemical Society","2005","127","","1854","1869","10.1021/ja044119+","","","0.71073","MoKα","","0.1801","0.0889","","","0.206","0.2707","","","","","","1.11","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111460","9.5911","0.0004","38.692","0.002","5.0505","0.0002","90","","90","","90","","1874.23","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","0.5","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.0832","0.0452","","","0.0987","0.1148","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111461","20.6093","0.0009","9.6923","0.0004","16.071","0.0006","90","","97.685","0.002","90","","3181.4","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H84 N16 O4 -","- C70 H84 N16 O4 -","- C140 H168 N32 O8 -","2","0.5","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.2277","0.1532","","","0.1801","0.2088","","","","","","2.202","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111462","7.8166","0.0002","14.6283","0.0005","9.1974","0.0003","90","","107.032","0.002","90","","1005.54","0.06","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 N4 -","- C4 H6 N4 -","- C32 H48 N32 -","8","1","","Hegui Gong; Michael J. Krische","Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues","Journal of the American Chemical Society","2005","127","","1719","1725","10.1021/ja044566p","","","0.71073","MoKα","","0.0664","0.0403","","","0.0999","0.1122","","","","","","1.05","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111463","16.4143","0.0015","14.1225","0.0013","20.7686","0.0019","90","","109.186","0.002","90","","4547","0.7","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H56 B Fe N P3 -","- C55 H56 B Fe N P3 -","- C220 H224 B4 Fe4 N4 P12 -","4","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.0798","0.0489","","","0.0982","0.1031","","","","","","1.887","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111464","13.0738","0.001","14.2209","0.0011","14.6878","0.0012","118.227","0.001","95.229","0.001","111.09","0.001","2128.4","0.3","96","2","96","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H47 B Fe N3 P3 -","- C51 H47 B Fe N3 P3 -","- C102 H94 B2 Fe2 N6 P6 -","2","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.0562","0.0396","","","0.0858","0.0893","","","","","","1.809","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111465","12.173","0.003","14.051","0.004","22.131","0.006","71.61","0.004","79.79","0.004","68.373","0.004","3331.2","1.5","96","2","96","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H100 B Fe N2 O P3 -","- C75 H100 B Fe N2 O P3 -","- C150 H200 B2 Fe2 N4 O2 P6 -","2","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.0755","0.047","","","0.0972","0.103","","","","","","1.826","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111466","16.791","0.0008","13.7352","0.0006","43.299","0.002","90","","93.653","0.001","90","","9965.7","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C114 H130 B2 Fe2 N Na O6 P6 -","- C114 H130 B2 Fe2 N Na O6 P6 -","- C456 H520 B8 Fe8 N4 Na4 O24 P24 -","4","1","","Steven D. Brown; Jonas C. Peters","Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers","Journal of the American Chemical Society","2005","127","","1913","1923","10.1021/ja0453073","","","0.71073","MoKα","","0.1239","0.065","","","0.094","0.1004","","","","","","1.508","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111467","14.277","0.0002","9.3405","0.0004","17.8241","0.0005","90","","90","","90","","2376.92","0.13","150","1","150","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H26 Fe Ni2 Si -","- C29 H26 Fe Ni2 Si -","- C116 H104 Fe4 Ni8 Si4 -","4","1","","Wing Yan Chan; Scott B. Clendenning; Andrea Berenbaum; Alan J. Lough; Stephane Aouba; Harry E. Ruda; Ian Manners","Highly Metallized Polymers: Synthesis, Characterization, and Lithographic Patterning of Polyferrocenylsilanes with Pendant Cobalt, Molybdenum, and Nickel Cluster Substituents","Journal of the American Chemical Society","2005","127","","1765","1772","10.1021/ja045386i","","","0.71073","MoKα","","0.048","0.0347","","","0.0742","0.0803","","","","","","1.043","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111468","14.4356","0.0004","15.5402","0.0003","25.6347","0.0006","90","","90","","90","","5750.7","0.2","116.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H39 N Zr -","- C37 H39 N Zr -","- C296 H312 N8 Zr8 -","8","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.0381","","","","0.0428","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111469","16.713","0.01","7.98","0.005","16.138","0.009","90","","92.41","0.01","90","","2150","2","143.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N Zr -","- C27 H33 N Zr -","- C108 H132 N4 Zr4 -","4","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.047","","","","0.0479","","","","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111470","9.1388","0.0005","13.1102","0.0007","16.0211","0.0009","66.542","0.001","78.127","0.001","82.211","0.001","1720.12","0.16","133.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 N Sn Zr -","- C39.5 H41 N Sn Zr -","- C79 H82 N2 Sn2 Zr2 -","2","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.0407","","","","0.0535","","","","","","1.769","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111471","9.846","0.0008","18.663","0.001","14.673","0.001","90","","106.62","0.001","90","","2583.6","0.3","143.2","","143.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N Zr -","- C31 H39 N Zr -","- C124 H156 N4 Zr4 -","4","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","0.0695","0.0351","","","0.0362","0.0409","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111472","15.037","0.002","15.037","0.002","17.395","0.003","90","","90","","120","","3406.3","0.9","173","2","173","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","Complex 3","","","- C15.5 H33 Cl F6 Fe N4 P S -","- C15.5 H33 Cl F6 Fe N4 P S -","- C93 H198 Cl6 F36 Fe6 N24 P6 S6 -","6","0.5","","Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold","Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases","Journal of the American Chemical Society","2005","127","","1675","1689","10.1021/ja046939s","","","0.71073","MoKα","","0.1149","0.071","","","0.1752","0.2041","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111473","17.952","0.002","16.829","0.002","17.932","0.002","90","","90","","90","","5417.5","1.1","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","040038","","","- C22 H39 F3 Fe N4 O4 S2 -","- C21.9985 H39 F3 Fe N4 O4 S1.9985 -","- C175.988 H312 F24 Fe8 N32 O32 S15.988 -","8","2","","Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold","Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases","Journal of the American Chemical Society","2005","127","","1675","1689","10.1021/ja046939s","","","0.71073","MoKα","","0.0767","0.0543","","","0.1165","0.1276","","","","","","1.006","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111474","12.061","0.001","15.232","0.001","12.918","0","90","","102.32","0","90","","2318.6","0.2","273.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-7-phenylindan-1-one","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","2","","Wender, Paul A.; Gamber, Gabriel G.; Hubbard, Robert D.; Pham, Son M.; Zhang, Lei","Multicomponent Cycloadditions: The Four-Component [5+1+2+1] Cycloaddition of Vinylcyclopropanes, Alkynes, and CO","Journal of the American Chemical Society","2005","127","9","2836","2837","10.1021/ja042728b","","","0.7107","MoKα","","","0.042","","","","0.11","","","","","","0.884","","","","has coordinates","210881","2020-10-21","18:00:00",""
"4111475","11.154","0.001","24.671","0.003","35.434","0.006","90","","90","","90","","9751","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H50 Cl2 Os P2 -","- C59 H50 Cl2 Os P2 -","- C472 H400 Cl16 Os8 P16 -","8","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.143","0.059","","","0.1126","0.1426","","","","","","1.009","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111476","12.7467","0.0011","14.0114","0.0012","17.2587","0.0015","77.178","0.002","70.503","0.002","78.564","0.002","2807.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H50 Cl4 Os P2 -","- C61 H50 Cl4 Os P2 -","- C122 H100 Cl8 Os2 P4 -","2","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.1903","0.0679","","","0.1476","0.1887","","","","","","0.881","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111477","12.5348","0.0008","13.5531","0.0008","17.753","0.0011","95.84","0.001","100.034","0.001","116.607","0.001","2599.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Cl4 Os P2 -","- C62 H52 Cl4 Os P2 -","- C124 H104 Cl8 Os2 P4 -","2","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.0566","0.0427","","","0.0776","0.0816","","","","","","0.972","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111478","12.6117","0.0007","13.9967","0.0008","16.439","0.0009","76.998","0.001","73.868","0.001","78.661","0.001","2688.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Cl6 Os P2 -","- C60 H56 Cl6 Os P2 -","- C120 H112 Cl12 Os2 P4 -","2","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.0377","0.0329","","","0.0805","0.0824","","","","","","1.031","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111479","13.0714","0.0002","19.7126","0.0005","17.3751","0.0004","90","","95.9628","0.0012","90","","4452.84","0.17","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H49 Cl1.5 F6 N2 O11 Pd S2 -","- C30.5 H49 Cl1.5 F6 N2 O11 Pd S2 -","- C122 H196 Cl6 F24 N8 O44 Pd4 S8 -","4","1","","Candace N. Cornell; Matthew S. Sigman","Discovery of and Mechanistic Insight into a Ligand-Modulated Palladium-Catalyzed Wacker Oxidation of Styrenes Using TBHP","Journal of the American Chemical Society","2005","127","","2796","2797","10.1021/ja043203m","","","0.71073","MoKα","","0.0764","0.0602","","","0.1587","0.1697","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111480","6.2614","0.001","8.3523","0.0014","17.417","0.003","76.737","0.003","88.019","0.003","88.673","0.003","885.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C42 H54 N2 O4 S2 -","2","1","","Jodie L. Brice; Jenna E. Harang; Vitaliy I. Timokhin; Natia R. Anastasi; Shannon S. Stahl","Aerobic Oxidative Amination of Unactivated Alkenes Catalyzed by Palladium","Journal of the American Chemical Society","2005","127","","2868","2869","10.1021/ja0433020","","","0.71073","MoKα","","0.083","0.071","","","0.1616","0.1661","","","","","","1.287","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111481","8.1137","0.0005","13.1016","0.0007","39.0663","0.0014","90","","92.2016","0.0003","90","","4149.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 N4 -","- C52 H50 N4 -","- C208 H200 N16 -","4","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1079","0.0528","","","0.1026","0.1234","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111482","24.4623","0.001","12.9181","0.0003","24.3219","0.001","90","","118.462","0.001","90","","6756.9","0.4","293","2","150","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C68 H83 N4 O4.5 S2 Zn2 -","- C68 H83 N4 O4.5 S2 Zn2 -","- C272 H332 N16 O18 S8 Zn8 -","4","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1097","0.0717","","","0.2156","0.2316","","","","","","1.057","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111483","41.0701","0.0002","15.8235","0.0005","22.6557","0.0008","90","","101.666","0.002","90","","14419.2","0.7","293","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 N4 O4 S2 Zn2 -","- C71 H69 N4 O4 S2 Zn2 -","- C568 H552 N32 O32 S16 Zn16 -","8","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1395","0.0864","","","0.265","0.2907","","","","","","1.019","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111484","25.912","0.005","17.308","0.004","9.044","0.0018","90","","90","","90","","4056.1","1.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","tris-(μ-2-Di-t-butylphosphido)-tricarbonyl-triangulo-tri-platinum(i,i,ii) trifluoromethanesulfonate","","- C28 H54 F3 O6 P3 Pt3 S -","- C28 H55 F3 O6 P3 Pt3 S -","- C112 H220 F12 O24 P12 Pt12 S4 -","4","0.5","","Fabrizia Fabrizi de Biani; Andrea Ienco; Franco Laschi; Piero Leoni; Fabio Marchetti; Lorella Marchetti; Carlo Mealli; Piero Zanello","Formation and Characterization of the Hexanuclear Platinum Cluster [Pt~6~(μ-P-t-Bu~2~)~4~(CO)~6~](CF~3~SO~3~)~2~ through Structural, Electrochemical and Computational Analyses","Journal of the American Chemical Society","2005","127","","3076","3089","10.1021/ja043626o","","","0.71073","MoKα","","0.11","0.0556","","","0.112","0.1364","","","","","","1.03","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111485","11.5608","0.0011","12.2314","0.0012","11.4007","0.0011","90","","111.596","0.002","90","","1498.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O6 Sn -","- C11 H17 N O6 Sn -","- C44 H68 N4 O24 Sn4 -","4","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0418","0.0362","","","0.0794","0.082","","","","","","1.172","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111486","26.594","0.004","9.5792","0.0014","24.2","0.004","90","","114.73","0.003","90","","5599.5","1.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H77 N3 O16 Sn3 -","- C48 H75 N3 O16 Sn3 -","- C192 H300 N12 O64 Sn12 -","4","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0886","0.0751","","","0.1452","0.1516","","","","","","1.086","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111487","16.214","0.014","16.214","0.014","17.23","0.02","90","","90","","120","","3923","7","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C57 H99 N3 O18 S6 Sn3 -","- C57 H81 N3 O18 S6 Sn3 -","- C114 H162 N6 O36 S12 Sn6 -","2","0.166667","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.0944","0.0611","","","0.1782","0.2012","","","","","","1.098","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111488","25.1483","0.001","25.1483","0.001","25.1483","0.001","90","","90","","90","","15904.7","1.1","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C54 H96 N3 O19.5 Sn3 -","- C54 H87 N3 O19.5 Sn3 -","- C432 H696 N24 O156 Sn24 -","8","0.333333","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.093","0.0916","","","0.2275","0.2285","","","","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111489","17.878","0.003","17.958","0.003","18.053","0.003","102.151","0.003","104.815","0.004","119.645","0.003","4461.1","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H87 N3 O20 S8 Sn3 -","- C71 H75 N3 O19 S8 Sn3 -","- C142 H150 N6 O38 S16 Sn6 -","2","1","","Reyes García-Zarracino; Herbert Höpfl","Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure","Journal of the American Chemical Society","2005","127","","3120","3130","10.1021/ja0437095","","","0.71073","MoKα","","0.2035","0.0904","","","0.2316","0.2912","","","","","","0.963","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111490","14.3976","0.0007","20.3199","0.0009","14.8154","0.0007","90","","112.971","0.001","90","","3990.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 K N4 O9 -","- C40 H53 K N4 O9 -","- C160 H212 K4 N16 O36 -","4","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.0559","0.0481","","","0.1361","0.1441","","","","","","1.033","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111491","11.0352","0.0005","13.6633","0.0006","27.7361","0.0013","90","","98.894","0.001","90","","4131.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 K N5 O10 -","- C40 H54 K N5 O10 -","- C160 H216 K4 N20 O40 -","4","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.0893","0.0813","","","0.2207","0.2283","","","","","","1.068","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111492","10.785","0.002","13.577","0.003","14.016","0.003","87.596","0.004","79.17","0.004","76.86","0.004","1963","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Li N5 O11 -","- C38 H54 Li N5 O11 -","- C76 H108 Li2 N10 O22 -","2","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.1448","0.1088","","","0.2911","0.3381","","","","","","1.051","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111493","13.1842","0.0002","13.3913","0.0002","25.3011","0.0005","76.996","0.001","77.41","0.001","72.797","0.001","4102.34","0.12","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C40.72 H55.46 N5 Na O9.37 -","- C38 H49.691 N5 Na O8 -","- C152 H198.764 N20 Na4 O32 -","4","2","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","x-ray","0.71073","MoKα","","0.0904","0.0821","","","0.2232","0.2307","","","","","","1.073","","","","has coordinates,has disorder","178885","2020-10-21","18:00:00",""
"4111494","13.2057","0.0006","13.2493","0.0007","13.4351","0.0007","74.552","0.001","74.532","0.001","73.806","0.001","2128.34","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.2 H56.4 N5 Na O10.6 -","- C41.2 H50 N5 Na O10.6 -","- C82.4 H100 N10 Na2 O21.2 -","2","1","","Joseph M. Mahoney; Kenneth A. Stucker; Hua Jiang; Ian Carmichael; Nicole R. Brinkmann; Alicia M. Beatty; Bruce C. Noll; Bradley D. Smith","Molecular Recognition of Trigonal Oxyanions Using a Ditopic Salt Receptor: Evidence for Anisotropic Shielding Surface around Nitrate Anion","Journal of the American Chemical Society","2005","127","","2922","2928","10.1021/ja0440295","","","0.71073","MoKα","","0.0996","0.0723","","","0.2001","0.2233","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111495","35.975","0.004","4.646","0.008","9.8781","0.001","90","","99.846","0.01","90","","1627","3","150","","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","0.5","","Rolf A. Koevoets; Ron M. Versteegen; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E. W. Meijer","Molecular Recognition in a Thermoplastic Elastomer","Journal of the American Chemical Society","2005","127","","2999","3003","10.1021/ja0451160","","x-ray","0.71073","MoKα","","0.0435","0.0373","","","0.1014","0.1067","","","","","","1.03","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111496","42.055","0.004","4.633","0.01","9.7768","0.001","90","","91.008","0.01","90","","1905","4","150","","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C84 H112 N16 O8 -","4","0.5","","Rolf A. Koevoets; Ron M. Versteegen; Huub Kooijman; Anthony L. Spek; Rint P. Sijbesma; E. W. Meijer","Molecular Recognition in a Thermoplastic Elastomer","Journal of the American Chemical Society","2005","127","","2999","3003","10.1021/ja0451160","","x-ray","0.71073","MoKα","","0.0582","0.0378","","","0.0975","0.1082","","","","","","1.033","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111497","9.877","0.003","11.162","0.004","12.536","0.005","87.32","0.02","70.98","0.02","74.77","0.02","1259.6","0.8","117.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H56 Fe Mn2 N11 O8 -","- C50 H36 Fe Mn2 N11 O8 -","- C50 H36 Fe Mn2 N11 O8 -","1","0.5","","Marilena Ferbinteanu; Hitoshi Miyasaka; Wolfgang Wernsdorfer; Kazuya Nakata; Ken-ichi Sugiura; Masahiro Yamashita; Claude Coulon; Rodolphe Clérac","Single-Chain Magnet (NEt4)[Mn2(5-MeOsalen)2Fe(CN)6] Made of MnIII-FeIII-MnIII Trinuclear Single-Molecule Magnet with an ST=9/2 Spin Ground State","Journal of the American Chemical Society","2005","127","","3090","3099","10.1021/ja0468123","","","0.7107","MoKα","","","0.052","","","","0.148","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111498","13.4068","0.0003","17.5452","0.0003","17.0553","0.0003","90","","98.382","0.0011","90","","3968.98","0.13","150","","150","","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Br0.159 Cl0.841 N2 Rh -","- C23 H26 Br0.159 Cl0.841 N2 Rh -","- C184 H208 Br1.272 Cl6.728 N16 Rh8 -","8","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0498","0.0285","","0.0523","0.0314","0.0314","","","","","","1.1101","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111499","7.1357","0.0002","18.8754","0.0003","16.0479","0.0003","90","","101.059","0.0006","90","","2121.34","0.08","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl N2 Rh -","- C26 H26 Cl N2 Rh -","- C104 H104 Cl4 N8 Rh4 -","4","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0341","0.0248","","0.0367","0.0266","0.0266","","","","","","1.1041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111500","11.2109","0.0002","29.7099","0.0003","13.0667","0.0002","90","","112.993","0.0004","90","","4006.43","0.1","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl2 F6 N4 P Rh -","- C45 H42 Cl2 F6 N4 P Rh -","- C180 H168 Cl8 F24 N16 P4 Rh4 -","4","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0511","0.0327","","0.0536","0.037","0.037","","","","","","1.1065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111501","12.0824","0.0002","21.391","0.0002","34.5673","0.0005","90","","90","","90","","8934.1","0.2","150","","150","","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C44 H52 Cl4 F6 N4 P Rh -","- C44 H52 Cl4 F6 N4 P Rh -","- C352 H416 Cl32 F48 N32 P8 Rh8 -","8","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.1039","0.0513","","0.0961","0.059","0.059","","","","","","1.1105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111502","16.2854","0.0002","12.0729","0.0002","16.4613","0.0003","90","","109.007","0.0005","90","","3060.03","0.08","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 F6 N4 P Rh -","- C30 H40 F6 N4 P Rh -","- C120 H160 F24 N16 P4 Rh4 -","4","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.0332","0.024","","0.0344","0.0275","0.0275","","","","","","1.0679","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111503","10.8871","0.0012","15.1353","0.0017","16.6062","0.0018","87.413","0.005","89.292","0.005","76.47","0.005","2657.7","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32.5 Cl N2 O0.25 Rh -","- C30 H32.5 Cl N2 O0.25 Rh -","- C120 H130 Cl4 N8 O Rh4 -","4","2","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.065","0.0354","","","0.0874","0.0949","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111504","27.9984","0.0009","9.7494","0.0003","28.6619","0.0009","90","","96.636","0.002","90","","7771.4","0.4","100","2","100","2","","","","","","","synthesized","5","C 1 c 1","C -2yc","9","","","","- C80 H68 Cl12 N6 O6 -","- C80 H68 Cl12 N6 O6 -","- C320 H272 Cl48 N24 O24 -","4","1","","Easwaran Arunkumar; Christopher C. Forbes; Bruce C. Noll; Bradley D. Smith","Squaraine-Derived Rotaxanes: Sterically Protected Fluorescent Near-IR Dyes","Journal of the American Chemical Society","2005","127","","3288","3289","10.1021/ja042404n","","x-ray","0.71073","MoKα","","0.0909","0.0651","","","0.1589","0.1894","","","","","","1.056","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111505","9.7987","0.0001","10.9613","0.0002","14.49","0.0002","86.839","0.001","78.258","0.001","77.305","0.001","1486.41","0.04","100","2","100","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C74 H66 N8 O8 -","- C74 H66 N8 O8 -","- C74 H66 N8 O8 -","1","0.5","","Easwaran Arunkumar; Christopher C. Forbes; Bruce C. Noll; Bradley D. Smith","Squaraine-Derived Rotaxanes: Sterically Protected Fluorescent Near-IR Dyes","Journal of the American Chemical Society","2005","127","","3288","3289","10.1021/ja042404n","","x-ray","0.71073","MoKα","","0.0559","0.0438","","","0.1097","0.1188","","","","","","1.027","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111506","9.7775","0.0008","12.1721","0.001","14.8995","0.0012","90","","104.724","0.001","90","","1715","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B2 Cl2 Hf N2 -","- C14 H20 B2 Cl2 Hf N2 -","- C56 H80 B8 Cl8 Hf4 N8 -","4","1","","Holger Braunschweig; Manuela Gross; Mario Kraft; Marc O. Kristen; Dirk Leusser","[2]Borametallocenophanes of Zr and Hf: Synthesis, Structure, and Polymerization Activity","Journal of the American Chemical Society","2005","127","","3282","3283","10.1021/ja042408s","","","0.71073","MoKα","","0.0234","0.0202","","","0.0506","0.0518","","","","","","1.071","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111507","9.4999","0.0005","12.044","0.0006","19.6947","0.0009","90","","90","","90","","2253.4","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H37 N3 O5 -","- C23 H37 N3 O5 -","- C92 H148 N12 O20 -","4","1","","Zachary D. Aron; Larry E. Overman","Total Synthesis and Properties of the Crambescidin Core Zwitterionic Acid and Crambescidin 359","Journal of the American Chemical Society","2005","127","","3380","3390","10.1021/ja042875+","","","0.71073","MoKα","","0.062","0.0376","","","0.0744","0.0852","","","","","","1.06","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111508","10.2573","0.0005","11.709","0.0006","13.3613","0.0007","106.38","0.001","102.221","0.001","103.372","0.001","1430.43","0.13","396","2","396","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H76 F12 N8 O4 P2 Rh2 -","- C48 H76 F12 N8 O4 P2 Rh2 -","- C48 H76 F12 N8 O4 P2 Rh2 -","1","0.5","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0415","0.0369","","","0.0852","0.0868","","","","","","1.129","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111509","10.2547","0.0011","11.7363","0.0012","13.3823","0.0014","106.793","0.002","101.576","0.002","103.503","0.002","1435.7","0.3","396","2","396","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H38 F6 Ir N4 O2 P -","- C24 H38 F6 Ir N4 O2 P -","- C48 H76 F12 Ir2 N8 O4 P2 -","2","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0331","0.0294","","","0.0721","0.0733","","","","","","1.031","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111510","16.3166","0.001","9.4045","0.0006","22.7153","0.0014","90","","100.553","0.001","90","","3426.7","0.4","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H52 Cl Ir N4 -","- C34 H52 Cl Ir N4 -","- C136 H208 Cl4 Ir4 N16 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0298","0.0283","","","0.0605","0.061","","","","","","1.162","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111511","17.8355","0.0009","16.9486","0.0009","19.1715","0.001","90","","90","","90","","5795.3","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H38 Cl Ir N4 -","- C28 H44 Cl Ir N4 -","- C224 H352 Cl8 Ir8 N32 -","8","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0789","0.0707","","","0.1219","0.1247","","","","","","1.24","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111512","15.594","0.004","21.124","0.007","10.373","0.003","90","","128.63","0.009","90","","2669.3","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 F6 Ir N4 P -","- C22 H38 F6 Ir N4 P -","- C88 H152 F24 Ir4 N16 P4 -","4","0.5","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0557","0.0468","","","0.1164","0.1201","","","","","","1.043","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111513","9.3984","0.0012","18.023","0.002","17.557","0.002","90","","101.315","0.002","90","","2916.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cl3 N4 O Rh -","- C24 H40 Cl3 N4 O Rh -","- C96 H160 Cl12 N16 O4 Rh4 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0941","0.0765","","","0.1611","0.1683","","","","","","1.146","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111514","13.9687","0.0007","16.8897","0.0008","15.5745","0.0008","90","","108.734","0.001","90","","3479.8","0.3","396","2","396","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 Cl Ir N4 O -","- C35 H50 Cl Ir N4 O -","- C140 H200 Cl4 Ir4 N16 O4 -","4","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0448","0.0407","","","0.0976","0.0997","","","","","","1.119","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111515","12.965","0.002","7.62","0.002","12.498","0.001","90","","100.246","0.01","90","","1215","0.4","298.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H22 S2 -","- C36 H22 S2 -","- C72 H44 S4 -","2","1","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.0397","","","","0.1385","","","","","","0.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111516","7.3528","0.0001","8.1884","0.0001","28.6857","0.0005","90","","90","","90","","1727.1","0.04","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.065","","","","0.1821","","","","","","1.487","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111517","7.264","0.003","8.432","0.002","36.215","0.007","90","","90","","90","","2218.2","1.1","298.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H18 S2 -","- C32 H18 S2 -","- C128 H72 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.0405","","","","0.1539","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111518","24.1162","0.0003","24.1162","0.0003","24.1162","0.0003","90","","90","","90","","14025.8","0.3","293","2","293","2","","","","","","","","2","I a -3 d","-I 4bd 2c 3","230","","","","- Rb2 Sn11 -","- Rb2 Sn10.9892 -","- Rb64 Sn351.653 -","32","0.333333","","Franck Dubois; Thomas F. Fässler","Ordering of Vacancies in Type-I Tin Clathrate: Superstructure of Rb8Sn44 2","Journal of the American Chemical Society","2005","127","","3264","3265","10.1021/ja043500r","","x-ray","0.71073","MoKα","","0.0406","0.0329","","","0.0809","0.0849","","","","","","1.154","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111519","20.214","0.003","20.214","0.003","18.353","0.004","90","","90","","120","","6494","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ga13 H72 N15 O99 -","- Ga13 H72 N15 O97.62 -","- Ga39 H216 N45 O292.86 -","3","0.166667","","Elisabeth Rather; Jason T. Gatlin; Paul G. Nixon; Takuji Tsukamoto; Victor Kravtsov; Darren W. Johnson","A Simple Organic Reaction Mediates the Crystallization of the Inorganic Nanocluster [Ga13(μ3-OH)6(μ2-OH)18(H2O)24](NO3)15","Journal of the American Chemical Society","2005","127","","3242","3243","10.1021/ja043520t","","","0.71073","MoKα","","0.0349","0.031","","","0.0969","0.0988","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111520","9.036","0.003","9.763","0.004","33.17","0.06","90","","91.4","0.06","90","","2925","6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Al N2 O -","- C30 H45 Al N2 O -","- C120 H180 Al4 N8 O4 -","4","1","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0846","0.0755","","","0.2231","0.2303","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111521","9.968","0.005","10.314","0.008","19.684","0.016","87.99","0.07","87.06","0.04","68.49","0.05","1880","2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H57 Al N2 O Zr -","- C41 H57 Al N2 O Zr -","- C82 H114 Al2 N4 O2 Zr2 -","2","1","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0446","0.043","","","0.1153","0.1171","","","","","","1.093","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111522","18.375","0.002","20.171","0.004","10.0747","0.0009","90","","90","","90","","3734.1","0.9","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H54 Al Cl N2 O Zr -","- C40 H54 Al Cl N2 O Zr -","- C160 H216 Al4 Cl4 N8 O4 Zr4 -","4","0.5","","Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts","Journal of the American Chemical Society","2005","127","","3449","3455","10.1021/ja043585w","","","0.71073","MoKα","","0.0404","0.0364","","","0.0945","0.0987","","","","","","1.061","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111523","12.356","0.0008","13.855","0.0009","14.4095","0.0009","92.114","0.001","106.369","0.001","99.122","0.001","2328.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 Er3 I3 O8 S3 -","- C32 H64 Er3 I3 O8 S3 -","- C64 H128 Er6 I6 O16 S6 -","2","1","","Anna Kornienko; Thomas J. Emge; G. Ajith Kumar; Richard E. Riman; John G. Brennan","Lanthanide Clusters with Internal Ln Ions: Highly Emissive Molecules with Solid-State Cores","Journal of the American Chemical Society","2005","127","","3501","3505","10.1021/ja043655z","","","0.71073","MoKα","","0.0504","0.039","","","0.0927","0.0963","","","","","","1.02","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111524","27.688","0.006","18.146","0.004","23.794","0.005","90","","106.39","0.004","90","","11469","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H136 Er10 I6 O17 S6 Se12 -","- C68 H136 Er10 I6 O17 S6 Se12 -","- C272 H544 Er40 I24 O68 S24 Se48 -","4","0.5","","Anna Kornienko; Thomas J. Emge; G. Ajith Kumar; Richard E. Riman; John G. Brennan","Lanthanide Clusters with Internal Ln Ions: Highly Emissive Molecules with Solid-State Cores","Journal of the American Chemical Society","2005","127","","3501","3505","10.1021/ja043655z","","","0.71073","MoKα","","0.1205","0.0615","","","0.1274","0.1454","","","","","","0.924","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111525","6.4935","0.0009","15.047","0.002","10.7907","0.0015","90","","97.773","0.002","90","","1044.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0403","0.0395","","","0.1037","0.1046","","","","","","1.07","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111526","6.646","0.004","15.42","0.008","11.019","0.006","90","","97.734","0.008","90","","1119","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H26.726 N2 O3 -","- C46 H53.452 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.066","0.0622","","","0.1493","0.1514","","","","","","1.115","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111527","6.4713","0.0005","14.9511","0.0012","10.7063","0.0009","90","","98.223","0.001","90","","1025.22","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0599","0.0569","","","0.1359","0.1373","","","","","","1.168","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111528","6.4628","0.0006","14.9255","0.0013","10.6919","0.0009","90","","98.389","0.001","90","","1020.31","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((R)-3-hydroxy-1-isopropyl-2,2-dimethyl-4-oxoazetidin-3-yl)- N-((R)-1-phenylethyl)benzamide","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0401","0.0385","","","0.0962","0.0975","","","","","","1.056","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111529","8.5684","0.0011","12.8865","0.0017","9.826","0.0013","90","","107.977","0.002","90","","1032","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-((R)-3-hydroxy-1-isopropyl-2,2-dimethyl-4-oxoazetidin-3- yl)-N-((R)-1-phenylethyl)benzamide","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0409","0.0378","","","0.0926","0.0948","","","","","","1.041","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111530","6.4651","0.0006","15.1371","0.0014","19.9694","0.0019","90","","90","","90","","1954.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-diisopropylaminooxalyl-N-((R)-1,2-dimethylpropyl)benzamide","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C80 H120 N8 O12 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0735","0.0506","","","0.1009","0.1105","","","","","","1.025","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111531","11.8848","0.0008","7.8596","0.0005","12.7623","0.0008","90","","93.206","0.001","90","","1190.26","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.1063","0.0638","","","0.1123","0.1285","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111532","6.1593","0.0008","13.058","0.0018","35.785","0.005","90","","90","","90","","2878.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N2 O5 -","- C31 H38 N2 O5 -","- C124 H152 N8 O20 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0773","0.0668","","","0.1531","0.1606","","","","","","1.11","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111533","6.4769","0.0007","14.9477","0.0017","14.0075","0.0016","90","","96.317","0.002","90","","1347.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-diisopropylaminooxalyl-N-(2-(R)-hydroxy-1-(S)-methyl- 2-phenylethyl)-N-methylbenzamide benzene solvate","","- C31 H38 N2 O4 -","- C31 H38 N2 O4 -","- C62 H76 N4 O8 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.089","0.0716","","","0.161","0.1714","","","","","","1.066","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111534","6.3813","0.0006","15.2049","0.0015","10.8317","0.0011","90","","96.753","0.002","90","","1043.68","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C46 H56 N4 O8 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.04","0.0366","","","0.0856","0.0873","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111535","10.1332","0.0018","10.5785","0.0019","21.19","0.004","90","","90","","90","","2271.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C108 H120 N8 O12 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0522","0.0414","","","0.0876","0.0924","","","","","","1.03","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111536","6.5053","0.0008","15.0545","0.0018","10.7789","0.0013","90","","97.924","0.002","90","","1045.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N2 O3 -","- C23 H27 N2 O3 -","- C46 H54 N4 O6 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.1092","0.1065","","","0.2203","0.2217","","","","","","1.161","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111537","6.8733","0.0006","20.861","0.002","15.768","0.001","90","","100.306","0.003","90","","2224.4","0.3","173.2","","173.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","2","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.7107","MoKα","","0.1039","0.041","","0.1222","","0.1222","","","0.82","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111538","7.4477","0.0003","9.811","0.0004","16.6491","0.0007","90","","101.995","0.001","90","","1189.98","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C50 H60 N4 O10 -","2","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0578","0.0497","","","0.1204","0.1255","","","","","","1.055","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111539","12.0301","0.0019","9.5538","0.0015","31.063","0.005","90","","97.558","0.003","90","","3539.2","1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 B N3 -","- C39 H52 B N3 -","- C156 H208 B4 N12 -","4","1","","Xavier Cattoën; Karinne Miqueu; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Evidence for Radical Fragmentations from Persistent Singlet Carbenes","Journal of the American Chemical Society","2005","127","","3292","3293","10.1021/ja050028g","","","0.71073","MoKα","","0.0629","0.048","","","0.1056","0.1122","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111540","11.795","0.003","12.267","0.003","16.109","0.004","90","","105.034","0.005","90","","2251","1","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 N4 -","- C20 H42 N4 -","- C80 H168 N16 -","4","1","","Xavier Cattoën; Karinne Miqueu; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Evidence for Radical Fragmentations from Persistent Singlet Carbenes","Journal of the American Chemical Society","2005","127","","3292","3293","10.1021/ja050028g","","","0.71073","MoKα","","0.0983","0.0521","","","0.1164","0.1353","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111541","32.132","0.003","21.368","0.002","23.512","0.002","90","","105.523","0.002","90","","15554","2","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H82 O4 Si2 Sm2 -","- C50 H82 O4 Si2 Sm2 -","- C600 H984 O48 Si24 Sm24 -","12","1.5","","William J. Evans; Jeremy M. Perotti; Joseph W. Ziller","Synthetic Utility of [(C5Me5)2Ln][(μ-Ph)2BPh2] in Accessing [(C5Me5)2LnR]x Unsolvated Alkyl Lanthanide Metallocenes, Complexes with High C-H Activation Reactivity","Journal of the American Chemical Society","2005","127","","3894","3909","10.1021/ja045064e","","","0.71073","MoKα","","0.0574","0.0301","","","0.0646","0.0776","","","","","","1.07","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111542","25.985","0.003","25.985","0.003","13.1692","0.0019","90","","90","","90","","8892.1","1.9","240","2","273","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C40 H52 Cl2 Mn2 N4 Ni2 O8 -","- C40 H52 Cl2 Mn2 N4 Ni2 O8 -","- C320 H416 Cl16 Mn16 N32 Ni16 O64 -","8","0.5","","Hiroki Oshio; Masayuki Nihei; Satoshi Koizumi; Takuya Shiga; Hiroyuki Nojiri; Motohiro Nakano; Naoki Shirakawa; Mitsuhiro Akatsu","A Heterometal Single-Molecule Magnet of [MnIII2NiII2Cl2(salpa)2]","Journal of the American Chemical Society","2005","127","","4568","4569","10.1021/ja042217p","","","0.71073","MoKα","","0.1108","0.0548","","","0.1428","0.1578","","","","","","0.987","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111543","45.826","0.007","19.147","0.003","22.955","0.003","90","","90","","90","","20141","5","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C75 H139 Cl2 Cu3 O8 P6 -","- C75 H139 Cl2 Cu3 O8 P6 -","- C600 H1112 Cl16 Cu24 O64 P48 -","8","0.5","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1368","0.0671","","","0.1729","0.2012","","","","","","0.898","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111544","25.802","0.005","15.758","0.003","22.786","0.005","90","","90","","90","","9265","3","301","2","301","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C75 H139 B2 Cu3 F8 P6 -","- C75 H139 B2 Cu3 F8 P6 -","- C300 H556 B8 Cu12 F32 P24 -","4","1","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.0951","0.0658","","","0.1767","0.1943","","","","","","0.986","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111545","45.837","0.009","19.17","0.004","22.935","0.005","90","","90","","90","","20153","7","301","2","301","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C75 H139 Cu3 F12 P8 -","- C75 H139 Cu3 F12 P8 -","- C600 H1112 Cu24 F96 P64 -","8","0.5","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.0745","0.0535","","","0.141","0.1597","","","","","","0.993","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111546","14.893","0.003","25.509","0.005","25.021","0.005","90","","94.5","0.03","90","","9476","3","301","2","301","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79 H143 Cl4 Cu3 F6 O6 P6 S2 -","- C79 H143 Cl4 Cu3 F6 O6 P6 S2 -","- C316 H572 Cl16 Cu12 F24 O24 P24 S8 -","4","1","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1005","0.0527","","","0.1419","0.1674","","","","","","0.93","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111547","24.707","0.005","13.807","0.003","35.5","0.007","90","","95.55","0.03","90","","12053","4","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 Cu2 F6 O3.5 P5 -","- C52 H93.5 Cu2 F6 O3.5 P5 -","- C416 H748 Cu16 F48 O28 P40 -","8","2","","Zhong Mao; Jie-Sheng Huang; Chi-Ming Che; Nianyong Zhu; Sarana Ka-Yan Leung; Zhong-Yuan Zhou","Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol: Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex","Journal of the American Chemical Society","2005","127","","4562","4563","10.1021/ja042335c","","","0.71073","MoKα","","0.1134","0.0573","","","0.1492","0.1738","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111548","24.1853","0.0007","10.3325","0.0003","14.445","0.0002","90","","110.375","0.002","90","","3383.88","0.15","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 F12 N4 O P2 -","- C35 H30 F12 N4 O P2 -","- C140 H120 F48 N16 O4 P8 -","4","0.5","","Benjamin J. Coe; James A. Harris; Lathe A. Jones; Bruce S. Brunschwig; Kai Song; Koen Clays; Javier Garín; Jesús Orduna; Simon J. Coles; Michael B. Hursthouse","Syntheses and Properties of Two-Dimensional Charged Nonlinear Optical Chromophores Incorporating Redox-Switchable cis-Tetraammineruthenium(II) Centers","Journal of the American Chemical Society","2005","127","","4845","4859","10.1021/ja0424124","","","0.71073","MoKα","","0.0528","0.0405","","","0.1044","0.1124","","","","","","1.035","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111549","19.534","0.0005","8.5747","0.0002","17.2984","0.0005","90","","109.896","0.002","90","","2724.51","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 B3 Ru2 -","- C28 H45 B3 Ru2 -","- C112 H180 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0409","0.0308","","","0.0736","0.0792","","","","","","1.021","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111550","8.5992","0.0004","17.5873","0.0007","18.796","0.0008","90","","90","","90","","2842.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 B3 Ru2 -","- C28 H42 B3 Ru2 -","- C112 H168 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0503","0.042","","","0.1057","0.1115","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111551","11.6019","0.0001","26.6818","0.0003","11.7353","0.0001","90","","114.628","0.001","90","","3302.31","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 B3 Ru2 -","- C36 H51 B3 Ru2 -","- C144 H204 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0451","0.0283","","","0.0567","0.0601","","","","","","1.044","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111552","23.5289","0.0014","8.3396","0.0004","13.4889","0.0007","90","","90","","90","","2646.8","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H42 B2 Ru2 -","- C28 H41 B2 Ru2 -","- C112 H164 B8 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0604","0.0497","","","0.1123","0.1172","","","","","","1.037","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111553","17.2749","0.0002","11.4652","0.0001","17.4982","0.0002","90","","106.88","0.001","90","","3316.38","0.06","100","2","100","2","","","","","","","synthesized","4","P 1 c 1","P -2yc","7","","","","- C36 H50 B2 Ru2 -","- C36 H50 B2 Ru2 -","- C144 H200 B8 Ru8 -","4","2","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0344","0.0282","","","0.058","0.0595","","","","","","0.994","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111554","16.8511","0.0003","10.4446","0.0002","22.1732","0.0004","90","","110.362","0.001","90","","3658.69","0.12","100","2","100","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 B2 Ru2 -","- C39 H57 B2 Ru2 -","- C156 H228 B8 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0576","0.0339","","","0.0652","0.0707","","","","","","1.03","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111555","38.6467","0.0005","13.3927","0.0002","12.5144","0.0001","90","","90","","90","","6477.25","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H48 B2 Ru2 -","- C36 H48 B2 Ru2 -","- C288 H384 B16 Ru16 -","8","2","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0281","0.0241","","","0.0528","0.0536","","","","","","1.048","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111556","9.002","0.0002","9.8968","0.0002","16.2319","0.0004","101.611","0.002","94.952","0.002","103.013","0.002","1366.95","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 B2 Ru2 -","- C28 H40 B2 Ru2 -","- C56 H80 B4 Ru4 -","2","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","","0.71073","MoKα","","0.0437","0.0335","","","0.0836","0.0922","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111557","11.5001","0.0001","17.6615","0.0002","19.6416","0.0003","90","","91.619","0.001","90","","3987.79","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 B3 Ru2 -","- C44 H57 B3 Ru2 -","- C176 H228 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0453","0.0324","","","0.0818","0.086","","","","","","1.052","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111558","12.2288","0.0011","13.9949","0.0013","15.4425","0.0014","96.77","0.002","94.38","0.002","113.116","0.002","2391.8","0.4","194","2","194","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H70 O4 P2 Pd -","- C52 H70 O4 P2 Pd -","- C104 H140 O8 P4 Pd2 -","2","1","","Timothy E. Barder; Shawn D. Walker; Joseph R. Martinelli; Stephen L. Buchwald","Catalysts for Suzuki-Miyaura Coupling Processes: Scope and Studies of the Effect of Ligand Structure","Journal of the American Chemical Society","2005","127","","4685","4696","10.1021/ja042491j","","","0.71073","MoKα","","0.0501","0.035","","","0.0764","0.0818","","","","","","1.035","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111559","9.9866","0.0016","12.598","0.002","23.797","0.004","90","","99.089","0.003","90","","2956.3","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl8 O4 P2 Pd -","- C54 H72 Cl8 O4 P2 Pd -","- C108 H144 Cl16 O8 P4 Pd2 -","2","0.5","","Timothy E. Barder; Shawn D. Walker; Joseph R. Martinelli; Stephen L. Buchwald","Catalysts for Suzuki-Miyaura Coupling Processes: Scope and Studies of the Effect of Ligand Structure","Journal of the American Chemical Society","2005","127","","4685","4696","10.1021/ja042491j","","","0.71073","MoKα","","0.0278","0.0246","","","0.0594","0.0607","","","","","","1.05","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111560","11.4552","0.0015","11.6697","0.0015","15.5298","0.0019","94.058","0.002","96.084","0.002","114.705","0.002","1860.1","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 O3 P Pd -","- C43 H49 O3 P Pd -","- C86 H98 O6 P2 Pd2 -","2","1","","Timothy E. Barder; Shawn D. Walker; Joseph R. Martinelli; Stephen L. Buchwald","Catalysts for Suzuki-Miyaura Coupling Processes: Scope and Studies of the Effect of Ligand Structure","Journal of the American Chemical Society","2005","127","","4685","4696","10.1021/ja042491j","","","0.71073","MoKα","","0.033","0.0286","","","0.0676","0.0695","","","","","","1.052","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111561","5.005","0.003","5.366","0.003","23.115","0.014","93.744","0.008","90.752","0.008","112.698","0.007","571","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","8-4-8 dicarbamate","1,4-bis-(N-octyl-carbamoyloxy)-butane","","- C22 H44 N2 O4 -","- C22 H44 N2 O4 -","- C22 H44 N2 O4 -","1","0.5","","Kibum Kim; Katherine E. Plass; Adam J. Matzger","Structure of and Competitive Adsorption in Alkyl Dicarbamate Two-Dimensional Crystals","Journal of the American Chemical Society","2005","127","","4879","4887","10.1021/ja043028+","","x-ray","0.71073","MoKα","","0.1903","0.0928","","","0.2403","0.2778","","","","","","1.048","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111562","5.048","0.004","10.359","0.009","23.59","0.02","84.402","0.014","88.068","0.014","83.793","0.014","1220.2","1.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","8-5-8 dicarbamate","1,5-Bis-(N-octyl-carbamoyloxy)-pentane","","- C23 H46 N2 O4 -","- C23 H46 N2 O4 -","- C46 H92 N4 O8 -","2","1","","Kibum Kim; Katherine E. Plass; Adam J. Matzger","Structure of and Competitive Adsorption in Alkyl Dicarbamate Two-Dimensional Crystals","Journal of the American Chemical Society","2005","127","","4879","4887","10.1021/ja043028+","","x-ray","0.71073","MoKα","","0.2346","0.1554","","","0.4002","0.4349","","","","","","1.307","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111563","20.4824","0.0013","11.6675","0.0007","19.2151","0.0012","90","","102.472","0.001","90","","4483.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Fe N6 Na2 O4 -","- C46 H58 Fe N6 Na2 O4 -","- C184 H232 Fe4 N24 Na8 O16 -","4","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0419","0.0345","","","0.084","0.0876","","","","","","1.064","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111564","23.443","0.002","25.146","0.003","13.2883","0.0013","90","","90","","90","","7833.4","1.4","100","2","100","2","","","","","","","","7","A b m 2","A 2 -2b","39","","","","- C54 H93 B36 Cl4 Co2 Fe N7 -","- C54 H93 B36 Cl4 Co2 Fe N7 -","- C216 H372 B144 Cl16 Co8 Fe4 N28 -","4","","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0556","0.0533","","","0.1385","0.1411","","","","","","1.112","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111565","15.5367","0.0012","21.1012","0.0016","25.2473","0.0019","90","","90","","90","","8277.2","1.1","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H60 Fe N4 Na O6 -","- C40 H60 Fe N4 Na O6 -","- C320 H480 Fe8 N32 Na8 O48 -","8","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0962","0.0962","","","0.1867","0.1867","","","","","","1.479","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111566","10.6459","0.0004","10.6459","0.0004","10.6459","0.0004","90","","90","","90","","1206.56","0.08","293","2","293","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C16.86 H32 Cr2.81 Fe4 K0.45 N16.86 O16 -","- C16.8 Cr2.8 Fe4 K0.48 N16.8 O15.84 -","- C16.8 Cr2.8 Fe4 K0.48 N16.8 O15.84 -","1","0.00520833","","Eugenio Coronado; Mari Carmen Giménez-López; Georgiy Levchenko; Francisco M. Romero; Valentín García-Baonza; Alla Milner; Moshe Paz-Pasternak","Pressure-Tuning of Magnetism and Linkage Isomerism in Iron(II) Hexacyanochromate","Journal of the American Chemical Society","2005","127","","4580","4581","10.1021/ja043166z","","","0.71073","MoKα","","0.0628","0.0499","","","0.1154","0.1211","","","","","","1.326","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111567","20.648","0.005","15.547","0.004","16.395","0.005","90","","90","","90","","5263","2","90","2","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","(Dipp*Tl)2","","","- C60 H74 Tl2 -","- C60 H74 Tl2 -","- C240 H296 Tl8 -","4","0.5","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","","","","0.0599","0.0492","","","0.1105","0.1178","","","","","","1.051","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111568","13.0842","0.0007","23.2719","0.0013","16.1097","0.0009","90","","94.782","0.003","90","","4888.2","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dipp*TlB(C6F5)3","","","- C55 H45 B F15 Tl -","- C55 H45 B F15 Tl -","- C220 H180 B4 F60 Tl4 -","4","1","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","0.71073","MoKα","","0.0307","0.0222","","","0.0519","0.0548","","","","","","1.005","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111569","21.2335","0.0014","14.0989","0.001","20.1848","0.0013","90","","117.601","0.003","90","","5355","0.6","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(DmpTl)3","","","- C66 H63 Tl3 -","- C66 H63 Tl3 -","- C264 H252 Tl12 -","4","1","","Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power","Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands","Journal of the American Chemical Society","2005","127","","4794","4799","10.1021/ja0432259","","","0.71073","MoKα","","0.0277","0.0222","","","0.0486","0.0502","","","","","","1.071","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111570","29.26","0.005","20.671","0.005","40.344","0.008","90","","90","","90","","24401","9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C82 H184 O48 Ti16 -","- C82 H184 O48 Ti16 -","- C656 H1472 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71073","MoKα","","0.1223","0.0656","","","0.1042","0.1114","","","","","","0.978","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111571","29.765","0.01","21.014","0.016","40.2","0.02","90","","90","","90","","25144","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C86 H192 O48 Ti16 -","- C85.999 H74 O48 Ti16 -","- C687.992 H592 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71069","MoKα","","0.1268","0.0684","","","0.1584","0.1749","","","","1.9","1.9","1.61","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111572","14.6284","0.0011","14.136","0.0011","15.2538","0.0012","90","","90","","90","","3154.3","0.4","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Co(depa)Cl2","","","- C14 H17 Cl2 Co N3 -","- C14 H17 Cl2 Co N3 -","- C112 H136 Cl16 Co8 N24 -","8","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0328","0.0264","","","0.0694","0.075","","","","","","1.034","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111573","10.3578","0.0006","10.6941","0.0006","20.4826","0.0012","85.299","0.001","85.028","0.001","84.421","0.001","2243.4","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","Co3(depa)3Cl3","","","- C42 H48 Cl3 Co3 N9 -","- C42 H48 Cl3 Co3 N9 -","- C84 H96 Cl6 Co6 N18 -","2","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0432","0.0345","","","0.092","0.0979","","","","","","1.037","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111574","13.3078","0.0007","31.0865","0.0017","15.9772","0.0008","90","","93.301","0.001","90","","6598.7","0.6","213","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H104 Co4 O16 -","- C52 H104 Co4 O16 -","- C208 H416 Co16 O64 -","4","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0674","0.042","","","0.089","0.1015","","","","","","1.031","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111575","70.377","0.014","17.181","0.003","42.159","0.008","90","","99.9","0.03","90","","50217","17","15","2","15","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H174 N52.88 O53.75 Pd6 -","- C135 H174 N52.95 O53.75 Pd6 -","- C1080 H1392 N423.6 O430 Pd48 -","8","1","","Shohei Tashiro; Masahide Tominaga; Masaki Kawano; Bruno Therrien; Tomoji Ozeki; Makoto Fujita","Sequence-Selective Recognition of Peptides within the Single Binding Pocket of a Self-Assembled Coordination Cage","Journal of the American Chemical Society","2005","127","","4546","4547","10.1021/ja044782y","","","0.689","synchrotron","","0.2242","0.1518","","","0.4191","0.4521","","","","","","1.378","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111576","15.5544","0.0004","5.5221","0.0001","16.3325","0.0005","90","","108.268","0.001","90","","1332.14","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0888","0.0484","","","0.1127","0.1406","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111577","15.5766","0.0003","5.5382","0.0001","16.3781","0.0005","90","","108.061","0.001","90","","1343.26","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0832","0.0484","","","0.115","0.1402","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111578","15.5907","0.0003","5.553","0.0001","16.4284","0.0004","90","","107.792","0.001","90","","1354.27","0.05","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0855","0.0483","","","0.115","0.1424","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111579","15.6361","0.0003","5.5774","0.0001","16.555","0.0005","90","","107.267","0.001","90","","1378.67","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.088","0.0513","","","0.1089","0.1442","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111580","12.9391","0.0003","3.8207","0.0001","25.7129","0.0006","90","","91.617","0.001","90","","1270.65","0.05","100","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0634","0.0387","","","0.0872","0.105","","","","","","1.087","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111581","12.9526","0.0003","3.8409","0.0001","25.7179","0.0007","90","","91.557","0.001","90","","1278.98","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0808","0.0417","","","0.0866","0.1109","","","","","","1.092","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111582","12.9684","0.0003","3.8649","0.0001","25.7294","0.0007","90","","91.476","0.001","90","","1289.17","0.06","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0897","0.0432","","","0.086","0.1128","","","","","","1.126","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111583","12.9932","0.0005","3.9181","0.0001","25.7473","0.0009","90","","91.307","0.002","90","","1310.42","0.08","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0681","0.0439","","","0.1009","0.1208","","","","","","1.081","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111584","7.6125","0.0001","7.9679","0.0001","24.2654","0.0005","90","","98.66","0.001","90","","1455.05","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0748","0.0465","","","0.1139","0.1362","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111585","7.6179","0.0001","7.9882","0.0001","24.3423","0.0006","90","","98.648","0.001","90","","1464.47","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0761","0.0448","","","0.104","0.1307","","","","","","1.068","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111586","7.6238","0.0001","8.0124","0.0001","24.4421","0.0005","90","","98.641","0.001","90","","1476.1","0.04","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.0866","0.0447","","","0.0992","0.1331","","","","","","1.101","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111587","7.6328","0.0001","8.0545","0.0001","24.6916","0.0006","90","","98.64","0.001","90","","1500.77","0.05","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Liudmil Antonov; Gastone Gilli","Variable-Temperature X-ray Crystallographic and DFT Computational Study of the NH...O/N...HO Tautomeric Competition in 1-(Arylazo)-2-naphthols. Outline of a Transiton-State Hydrogen-Bond Theory","Journal of the American Chemical Society","2005","127","","4943","4953","10.1021/ja0453984","","","0.7107","MoKα","","0.1227","0.0505","","","0.1095","0.1591","","","","","","1.105","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111588","13.398","0.0005","17.3954","0.0005","20.4727","0.0006","90","","93.297","0.002","90","","4763.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H83 O3 Si3 Ta -","- C40 H71 O3 Si3 Ta -","- C160 H284 O12 Si12 Ta4 -","4","1","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.0524","0.0336","","","0.0741","0.0807","","","","","","1.072","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111589","13.115","0.007","20.965","0.008","17.257","0.006","90","","91.57","0.02","90","","4743","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H89 O3 Si3 Ta -","- C40 H89 O3 Si3 Ta -","- C160 H356 O12 Si12 Ta4 -","4","1","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.0608","0.0344","","","0.0755","0.0862","","","","","","1.008","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111590","24.8008","0.0008","17.4613","0.0005","45.1532","0.0018","90","","90","","90","","19553.8","1.1","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H91 Nb O3 Si3 -","- C42 H86.5 Nb O3 Si3 -","- C672 H1384 Nb16 O48 Si48 -","16","4","","Kurt F. Hirsekorn; Adam S. Veige; Michael P. Marshak; Yelena Koldobskaya; Peter T. Wolczanski; Thomas R. Cundari; Emil B. Lobkovsky","Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox =tBu3SiO; M = Nb, Ta)","Journal of the American Chemical Society","2005","127","","4809","4830","10.1021/ja046180k","","","0.71073","MoKα","","0.1053","0.088","","","0.2054","0.2182","","","","","","1.058","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111591","20.1923","0.0004","20.1923","0.0004","6.9288","0.0002","90","","90","","120","","2446.58","0.1","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C12 H26 O4 Si -","- C12 H26 O4 Si -","- C72 H156 O24 Si6 -","6","1","","Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle","Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides","Journal of the American Chemical Society","2005","127","","4586","4587","10.1021/ja050013i","","","1.54178","CuKα","","0.0747","0.0557","","","0.1387","0.1496","","","","","","1.015","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111592","10.0172","0.0012","11.2383","0.0014","15.6235","0.0019","90","","90","","90","","1758.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O7 -","- C17 H26 O7 -","- C68 H104 O28 -","4","1","","Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle","Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides","Journal of the American Chemical Society","2005","127","","4586","4587","10.1021/ja050013i","","","1.54178","CuKα","","0.1061","0.0888","","","0.2214","0.2303","","","","","","1.065","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111593","10.2457","0.0008","12.9259","0.0011","12.9628","0.001","104.083","0.002","107.557","0.002","95.816","0.002","1559","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 Br2 N O6 -","- C35 H35 Br2 N O6 -","- C70 H70 Br4 N2 O12 -","2","1","","Yao Lei; Aaron D. Wrobleski; Jennifer E. Golden; Douglas R. Powell; Jeffrey Aubé","Facile C-N Cleavage in a Series of Bridged Lactams","Journal of the American Chemical Society","2005","127","","4552","4553","10.1021/ja050214m","","","0.71073","MoKα","","0.0532","0.0336","","","0.0752","0.0819","","","","","","0.907","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111594","6.878","0.002","9.85","0.003","15.468","0.005","79.468","0.006","85.295","0.007","77.715","0.006","1005.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Br N O3 -","- C21 H28 Br N O3 -","- C42 H56 Br2 N2 O6 -","2","1","","Yao Lei; Aaron D. Wrobleski; Jennifer E. Golden; Douglas R. Powell; Jeffrey Aubé","Facile C-N Cleavage in a Series of Bridged Lactams","Journal of the American Chemical Society","2005","127","","4552","4553","10.1021/ja050214m","","","0.71073","MoKα","","0.0802","0.0686","","","0.1709","0.1789","","","","","","1.023","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111595","18.01","0.004","10.186","0.002","18.01","0.004","90","","113.591","0.004","90","","3027.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C144 H160 Br8 N8 O8 -","8","2","","Yao Lei; Aaron D. Wrobleski; Jennifer E. Golden; Douglas R. Powell; Jeffrey Aubé","Facile C-N Cleavage in a Series of Bridged Lactams","Journal of the American Chemical Society","2005","127","","4552","4553","10.1021/ja050214m","","","0.71073","MoKα","","0.0455","0.0357","","","0.0761","0.0798","","","","","","1.005","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111596","11.224","0.005","14.411","0.005","12.659","0.005","90","0.005","103.275","0.005","90","0.005","1992.9","1.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H7 Al Cl2 F10 N2 -","- C17 H7 Al Cl2 F10 N2 -","- C68 H28 Al4 Cl8 F40 N8 -","4","1","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71069","MoKα","","0.2094","0.0778","","","0.159","0.2099","","","","","","1.054","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111597","25.588","0.005","15.086","0.003","7.1553","0.0014","90","","90","","90","","2762.1","0.9","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H12 Al B Cl4 F10 N2 -","- C23 H12 Al B Cl4 F10 N2 -","- C92 H48 Al4 B4 Cl16 F40 N8 -","4","0.5","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71073","MoKα","","0.1843","0.079","","","0.1879","0.2443","","","","","","1.045","","","","has coordinates","189844","2020-10-21","18:00:00",""
"4111598","11.11","0.005","13.318","0.005","15.211","0.005","90","0.005","104.744","0.005","90","0.005","2176.6","1.5","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H7 Al B Cl3 F10 N2 O -","- C17 H7 Al B Cl3 F10 N2 O -","- C68 H28 Al4 B4 Cl12 F40 N8 O4 -","4","1","","Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley","Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond","Journal of the American Chemical Society","2005","127","","4566","4567","10.1021/ja0507564","","","0.71069","MoKα","","0.0392","0.0302","","","0.0749","0.0792","","","","","","1.065","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111599","9.6258","0.0016","7.7123","0.0013","16.2","0.003","90","","103.75","0.003","90","","1168.2","0.4","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","1","","Ken S. Feldman; Malliga R. Iyer","Allenyl Azide Cycloaddition Chemistry. Synthesis of Pyrrolidine-Containing Bicycles and Tricycles via the Possible Intermediacy of Azatrimethylenemethane Species","Journal of the American Chemical Society","2005","127","","4590","4591","10.1021/ja050757w","","","0.71073","MoKα","","0.0563","0.0503","","","0.1245","0.1277","","","","","","1.079","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111600","12.3997","0.0009","3.9144","0.0003","17.409","0.002","90","","107.882","0.006","90","","804.17","0.13","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.041","","","","0.043","","","","","","5.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111601","12.439","0.002","3.8487","0.0007","16.956","0.003","90","","107.951","0.006","90","","772.2","0.2","305","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.055","","","","0.059","","","","","","5.346","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111602","12.364","0.001","3.922","0.0005","17.395","0.002","90","","107.828","0.004","90","","803.01","0.15","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Br2 N2 O4 -","- C18 H10 Br2 N2 O4 -","- C36 H20 Br4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.046","","","","0.051","","","","","","4.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111603","12.399","0.002","3.8533","0.0007","16.957","0.002","90","","107.89","0.006","90","","771","0.2","298","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Cl2 N2 O3 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid","Journal of the American Chemical Society","2005","127","","5010","5011","10.1021/ja042212s","","","0.6868","synchrotron","","","0.048","","","","0.05","","","","","","4.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111604","25.767","0.01","28.493","0.017","19.631","0.007","90","","90","","90","","14413","11","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","zirconium","Zirconium amide O2 adduct","","- C20 H60 N10 O2 Zr3 -","- C20 H60 N10 O2 Zr3 -","- C320 H960 N160 O32 Zr48 -","16","1","","Ruitao Wang; Xin-Hao Zhang; Shu-Jian Chen; Xianghua Yu; Chang-Sheng Wang; David B. Beach; Yun-Dong Wu; Zi-Ling Xue","Reactions of d0 Group 4 Amides with Dioxygen. Preparation of Unusual Oxo Aminoxy Complexes and Theoretical Studies of Their Formation","Journal of the American Chemical Society","2005","127","","5204","5211","10.1021/ja042307u","","","0.71073","MoKα","","0.0292","0.0275","","","0.0883","0.0907","","","","","","0.855","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111605","25.632","0.006","28.495","0.01","19.577","0.004","90","","90","","90","","14299","7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Hafnium","Hafnium amide O2 adduct","","- C20 H60 Hf3 N10 O2 -","- C20 H60 Hf3 N10 O2 -","- C320 H960 Hf48 N160 O32 -","16","1","","Ruitao Wang; Xin-Hao Zhang; Shu-Jian Chen; Xianghua Yu; Chang-Sheng Wang; David B. Beach; Yun-Dong Wu; Zi-Ling Xue","Reactions of d0 Group 4 Amides with Dioxygen. Preparation of Unusual Oxo Aminoxy Complexes and Theoretical Studies of Their Formation","Journal of the American Chemical Society","2005","127","","5204","5211","10.1021/ja042307u","","","0.71073","MoKα","","0.0318","0.0299","","","0.0837","0.0851","","","","","","1.08","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111606","10.457","0.0002","10.51","0.0002","12.418","0.0003","90","","114.221","0.0009","90","","1244.63","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 S2 Si2 -","- C28 H26 S2 Si2 -","- C56 H52 S4 Si4 -","2","0.5","","Marcia M. Payne; Sean R. Parkin; John E. Anthony; Chung-Chen Kuo; Thomas N. Jackson","Organic Field-Effect Transistors from Solution-Deposited Functionalized Acenes with Mobilities as High as 1 cm2/V.s","Journal of the American Chemical Society","2005","127","","4986","4987","10.1021/ja042353u","","","0.71073","MoKα","","0.0583","0.0373","","","0.0903","0.0978","","","","","","1.05","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111607","6.7318","0.0001","7.2511","0.0002","16.695","0.0004","98.1442","0.0011","94.5289","0.0011","103.918","0.001","777.59","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","- C34 H38 S2 Si2 -","1","0.5","","Marcia M. Payne; Sean R. Parkin; John E. Anthony; Chung-Chen Kuo; Thomas N. Jackson","Organic Field-Effect Transistors from Solution-Deposited Functionalized Acenes with Mobilities as High as 1 cm2/V.s","Journal of the American Chemical Society","2005","127","","4986","4987","10.1021/ja042353u","","","0.71073","MoKα","","0.0502","0.0365","","","0.0913","0.0962","","","","","","1.102","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111608","29.644","0.004","7.4582","0.001","30.473","0.004","90","","90","","90","","6737.3","1.6","110","2","110","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C71 H72 Ag2 Au4 Cl2 N8 O4 -","- C71 H72 Ag2 Au4 Cl2 N8 O4 -","- C284 H288 Ag8 Au16 Cl8 N32 O16 -","4","1","","Ahmed A. Mohamed; Alfredo Burini; John P. Fackler","Mixed-Metal Triangular Trinuclear Complexes: Dimers of Gold-Silver Mixed-Metal Complexes from Gold(I) Carbeniates and Silver(I) 3,5-Diphenylpyrazolates","Journal of the American Chemical Society","2005","127","","5012","5013","10.1021/ja0429869","","","0.71073","MoKα","","0.0978","0.0597","","","0.116","0.1332","","","","","","1.019","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111609","9.688","0.003","15.542","0.004","23.689","0.006","82.56","0.005","87.887","0.006","78.06","0.005","3460.1","1.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H67 Ag4 Au2 N10 O2 -","- C80 H67 Ag4 Au2 N10 O2 -","- C160 H134 Ag8 Au4 N20 O4 -","2","1","","Ahmed A. Mohamed; Alfredo Burini; John P. Fackler","Mixed-Metal Triangular Trinuclear Complexes: Dimers of Gold-Silver Mixed-Metal Complexes from Gold(I) Carbeniates and Silver(I) 3,5-Diphenylpyrazolates","Journal of the American Chemical Society","2005","127","","5012","5013","10.1021/ja0429869","","","0.71073","MoKα","","0.2077","0.0732","","","0.1086","0.1381","","","","","","0.814","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111610","10.4726","0.0008","15.4811","0.0012","13.8229","0.0011","90","","92.511","0.002","90","","2238.9","0.3","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 Co O2 P -","- C23 H38 Co O2 P -","- C92 H152 Co4 O8 P4 -","4","1","","Cyril Godard; Simon B. Duckett; Stacey Polas; Robert Tooze; Adrian C. Whitwood","Detection of Intermediates in Cobalt-Catalyzed Hydroformylation Using para-Hydrogen-Induced Polarization","Journal of the American Chemical Society","2005","127","","4994","4995","10.1021/ja0434533","","","0.71073","MoKα","","0.0402","0.0321","","","0.0851","0.0905","","","","","","1.061","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111611","10.731","0.008","10.679","0.006","14.299","0.009","90","","102.89","0.02","90","","1597.3","1.8","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H45 N3 O6 -","- C34 H45 N3 O6 -","- C68 H90 N6 O12 -","2","1","","Takashi Ooi; Mifune Takeuchi; Daisuke Kato; Yukitaka Uematsu; Eiji Tayama; Daiki Sakai; Keiji Maruoka","Highly Enantioselective Phase-Transfer-Catalyzed Alkylation of Protected α-Amino Acid Amides toward Practical Asymmetric Synthesis of Vicinal Diamines, α-Amino Ketones, and α-Amino Alcohols","Journal of the American Chemical Society","2005","127","","5073","5083","10.1021/ja0459328","","","0.7107","MoKα","","","0.0534","","","","0.1222","","","","","","1.525","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111612","8.8149","0.0009","12.7183","0.0013","18.3693","0.0019","91.953","0.001","90.798","0.002","108.682","0.002","1949.1","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H37 Cl4 F6 N2 O2 Pd Sb -","- C35 H37 Cl4 F6 N2 O2 Pd Sb -","- C70 H74 Cl8 F12 N4 O4 Pd2 Sb2 -","2","1","","B. Scott Williams; Mark D. Leatherman; Peter S. White; Maurice Brookhart","Reactions of Vinyl Acetate and Vinyl Trifluoroacetate with Cationic Diimine Pd(II) and Ni(II) Alkyl Complexes: Identification of Problems Connected with Copolymerizations of These Monomers with Ethylene","Journal of the American Chemical Society","2005","127","","5132","5146","10.1021/ja045969s","","","0.71073","MolybdenumKα","","0.073","0.057","","0.084","0.076","","","","","","","2.56","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111613","11.163","0.002","12.857","0.002","13.13","0.003","71.78","0.03","84.6","0.03","64.95","0.03","1620","0.7","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H70 Cl2 Cu2 N12 O10 -","- C64 H68 Cl2 Cu2 N12 O10 -","- C64 H68 Cl2 Cu2 N12 O10 -","1","0.5","","Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa","Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand","Journal of the American Chemical Society","2005","127","","5212","5223","10.1021/ja047437h","","","0.7107","MoKα","","","0.0461","","","","0.0757","","","","","","1.469","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111614","23.989","0.006","16.678","0.004","18.853","0.005","90","","105.033","0.006","90","","7285","3","123.2","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H71 Cu2 F6 N15 O8 S2 -","- C70 H68 Cu2 F6 N15 O8 S2 -","- C280 H272 Cu8 F24 N60 O32 S8 -","4","0.5","","Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa","Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand","Journal of the American Chemical Society","2005","127","","5212","5223","10.1021/ja047437h","","","0.7107","MoKα","","","0.0644","","","","0.0951","","","","","","1.697","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111615","14.023","0.005","15.81","0.006","17.194","0.007","104.038","0.007","101.808","0.007","105.329","0.008","3416","2","123.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C129 H144 B2 Cu2 N14 O11 -","- C129 H106 B2 Cu2 N14 O11 -","- C129 H106 B2 Cu2 N14 O11 -","1","0.5","","Kyosuke Itoh; Hideki Hayashi; Hideki Furutachi; Takahiro Matsumoto; Shigenori Nagatomo; Takehiko Tosha; Shoichi Terada; Shuhei Fujinami; Masatatsu Suzuki; Teizo Kitagawa","Synthesis and Reactivity of a (μ-1,1-Hydroperoxo)(μ-hydroxo)dicopper(II) Complex: Ligand Hydroxylation by a Bridging Hydroperoxo Ligand","Journal of the American Chemical Society","2005","127","","5212","5223","10.1021/ja047437h","","","0.7107","MoKα","","","0.0883","","","","0.1331","","","","","","1.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111616","18.4724","0.0012","18.4724","0.0012","21.479","0.003","90","","90","","120","","6347.3","1.1","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C99 H114 N8 O15 P2 -","- C78 H72 N8 O8 P2 -","- C234 H216 N24 O24 P6 -","3","0.5","","Thomas P. Clark; Clark R. Landis; Susan L. Freed; Jerzy Klosin; Khalil A. Abboud","Highly Active, Regioselective, and Enantioselective Hydroformylation with Rh Catalysts Ligated by Bis-3,4-diazaphospholanes","Journal of the American Chemical Society","2005","127","","5040","5042","10.1021/ja050148o","","","0.71073","MoKα","","0.1472","0.0754","","","0.18","0.1989","","","","","","0.871","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111617","18.2966","0.0013","15.3838","0.0011","19.0807","0.0014","90","","103.864","0.001","90","","5214.2","0.7","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 P4 Pt2 -","- C60 H52 P4 Pt2 -","- C240 H208 P16 Pt8 -","4","1","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0712","0.0353","","","0.0643","0.0716","","","","","","0.904","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111618","13.837","0.012","14.073","0.016","14.231","0.013","115.24","0.08","98.64","0.06","90.88","0.12","2468","5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30.23 H26.47 Cl0.47 P2 Pt -","- C30.2333 H26.4667 Cl0.466667 P2 Pt -","- C90.7 H79.4 Cl1.4 P6 Pt3 -","3","3","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.1559","0.1235","","","0.299","0.3289","","","","","","1.218","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111619","18.374","0.0006","18.374","0.0006","55.729","0.003","90","","90","","120","","16293.7","1.2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C29.33 H22.67 Cl4.67 P2 Pt -","- C29.36 H22.72 Cl4.72 P2 Pt -","- C528.48 H408.96 Cl84.96 P36 Pt18 -","18","0.5","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.7107","MoKα","","0.0834","0.0493","","","0.1471","0.1753","","","","","","1.039","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111620","13.4455","0.0013","12.6751","0.0012","17.2623","0.0016","90","","94.205","0.002","90","","2934","0.5","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl4 P2 Pt -","- C29 H22 Cl4 P2 Pt -","- C116 H88 Cl16 P8 Pt4 -","4","1","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.7107","MoKα","","0.0775","0.042","","","0.0855","0.0957","","","","","","0.943","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111621","14.1487","0.001","27.8078","0.0019","23.1818","0.0016","90","","90","","90","","9120.7","1.1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C86.2 H64.4 Cl10.4 P6 Pt3 -","- C86.2 H64.4 Cl10.4 P6 Pt3 -","- C344.8 H257.6 Cl41.6 P24 Pt12 -","4","0.5","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0953","0.0564","","","0.1233","0.1397","","","","","","0.981","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111622","14.8354","0.0012","20.9175","0.0016","34.772","0.003","90","","101.047","0.002","90","","10590.5","1.5","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124.4 H116.2 Cl0.2 P6 Pt3 -","- C124.4 H116.2 Cl0.2 P6 Pt3 -","- C497.6 H464.8 Cl0.8 P24 Pt12 -","4","1","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0647","0.0364","","","0.0806","0.091","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111623","12.9032","0.001","13.8547","0.0011","18.2539","0.0013","90.146","0.002","101.1","0.002","93.66","0.001","3195.3","0.4","243","2","243","2","","","","","","","","7","P -1","-P 1","2","RhP2O2Tol","","","- C59.5 H49.5 Cl1.5 F18 O4 P2 Rh -","- C59 H49 F18 O4 P2 Rh -","- C118 H98 F36 O8 P4 Rh2 -","2","1","","Xiang Wang; Benjamin S. Lane; Dalibor Sames","Direct C-Arylation of Free (NH)-Indoles and Pyrroles Catalyzed by Ar-Rh(III) Complexes Assembled In Situ","Journal of the American Chemical Society","2005","127","","4996","4997","10.1021/ja050279p","","","0.71073","MoKα","","0.1487","0.0708","","","0.1866","0.2114","","","","","","0.943","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111624","18.4664","0.0014","13.94","0.0011","21.7527","0.0017","90","","102.455","0.001","90","","5467.8","0.7","27","2","27","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0498","0.0458","","","0.1105","0.1149","","","","","","1.146","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111625","18.5103","0.0015","13.9409","0.0011","21.7987","0.0018","90","","102.39","0.002","90","","5494.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0489","0.0443","","","0.1076","0.1119","","","","","","1.124","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111626","18.612","0.001","13.982","0.001","21.91","0.002","90","","102.31","0.001","90","","5570.6","0.7","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru2(DAniF(-o))4Cl","","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0429","0.0286","","","0.0551","0.0585","","","","","","1.025","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111627","18.7557","0.0012","13.9847","0.0009","21.9873","0.0014","90","","102.249","0.001","90","","5635.8","0.6","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)","","- C60 H60 Cl N8 O8 Ru2 -","- C60 H60 Cl N8 O8 Ru2 -","- C240 H240 Cl4 N32 O32 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0551","0.0442","","","0.106","0.1173","","","","","","1.081","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111628","13.0725","0.0006","13.0725","0.0006","16.5571","0.0014","90","","90","","90","","2829.4","0.3","27","2","27","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.045","0.0419","","","0.1079","0.1108","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111629","13.0675","0.0004","13.0675","0.0004","16.5408","0.0011","90","","90","","90","","2824.5","0.2","60","2","60","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0454","0.0428","","","0.1113","0.1146","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111630","13.0913","0.0004","13.0913","0.0004","16.5568","0.0011","90","","90","","90","","2837.5","0.2","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0497","0.043","","","0.1079","0.1121","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111631","13.1235","0.0004","13.1235","0.0004","16.5799","0.001","90","","90","","90","","2855.5","0.2","150","2","150","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0491","0.0436","","","0.1108","0.1174","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111632","13.1651","0.0004","13.1651","0.0004","16.6065","0.0011","90","","90","","90","","2878.2","0.2","220","2","220","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C30.25 H30.5 Cl N4 O4 Ru -","- C30.25 H30 Cl N4 O4 Ru -","- C121 H120 Cl4 N16 O16 Ru4 -","4","0.5","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0497","0.0422","","","0.1083","0.1171","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111633","13.246","0.0005","13.246","0.0005","16.6843","0.0013","90","","90","","90","","2927.4","0.3","299","2","299","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis-[bis-(p-anisyl)-fromamidinato]-chloro-diruthenium(II,III) 0.5 dichloromethane solvate","","- C60.5 H61 Cl2 N8 O8 Ru2 -","- C60.5 H60 Cl2 N8 O8 Ru2 -","- C121 H120 Cl4 N16 O16 Ru4 -","2","0.25","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores","Journal of the American Chemical Society","2005","127","","5008","5009","10.1021/ja050828r","","","0.71073","MoKα","","0.0515","0.0411","","","0.1014","0.1121","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111634","11.1163","0.0006","9.5844","0.0005","23.1449","0.0013","90","","90","","90","","2465.9","0.2","174","2","174","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 O3 P -","- C14 H11 O3 P -","- C112 H88 O24 P8 -","8","1","","Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima","Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer","Journal of the American Chemical Society","2005","127","","5018","5019","10.1021/ja0509634","","","0.71073","MoKα","","0.0411","0.0384","","","0.1074","0.1102","","","","","","1.054","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4111635","12.5352","0.0006","6.4598","0.0003","14.2511","0.0007","90","","109.476","0.001","90","","1087.95","0.09","248","2","248","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N O3 P -","- C24 H24 N O3 P -","- C48 H48 N2 O6 P2 -","2","1","","Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima","Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer","Journal of the American Chemical Society","2005","127","","5018","5019","10.1021/ja0509634","","","0.71073","MoKα","","0.0405","0.0391","","","0.1009","0.1024","","","","","","1.071","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111636","10.65","0.02","6.6","0.01","11.9","0.02","90","","91.94","0.07","90","","836","2","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F6 N2 S2 -","- C18 H8 F6 N2 S2 -","- C36 H16 F12 N4 S4 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0528","","","","0.0677","","","","","","1.908","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111637","6.0507","","8.1828","","23.2685","","98","","93","","97","","1129.53","","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H12 F6 N2 S4 -","- C26 H12 F6 N2 S4 -","- C52 H24 F12 N4 S8 -","2","1","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0828","","","","0.1971","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111638","6.154","0.009","7.604","0.009","19.5","0.03","90","","97.18","0.06","90","","905","2","93.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H12 F6 S2 -","- C22 H12 F6 S2 -","- C44 H24 F12 S4 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0507","","","","0.0602","","","","","","0.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111639","8.7408","0.0005","25.7847","0.0014","9.2802","0.0005","90","","103.983","0.001","90","","2029.58","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 F7 Ir P -","- C18 H27 F7 Ir P -","- C72 H108 F28 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group","Journal of the American Chemical Society","2005","127","","6325","6334","10.1021/ja042345d","","","0.71073","MoKα","","0.0252","0.0225","","","0.0534","0.055","","","","","","0.812","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111640","14.8066","0.0011","9.0186","0.0007","16.9374","0.0012","90","","103.559","0.001","90","","2198.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 F6 I Ir P -","- C18 H27 F6 I Ir P -","- C72 H108 F24 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group","Journal of the American Chemical Society","2005","127","","6325","6334","10.1021/ja042345d","","","0.71073","MoKα","","0.0314","0.0259","","","0.0564","0.0581","","","","","","1.016","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111641","12.1256","0.0009","12.5665","0.0009","18.2649","0.0013","84.388","0.001","73.367","0.001","84.618","0.001","2647.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 B F30 Ir P -","- C50 H27 B F30 Ir P -","- C100 H54 B2 F60 Ir2 P2 -","2","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group","Journal of the American Chemical Society","2005","127","","6325","6334","10.1021/ja042345d","","","0.71073","MoKα","","0.058","0.0527","","","0.1183","0.1202","","","","","","1.209","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111642","14.097","0.003","14.036","0.003","10.923","0.002","90","","99.97","0.03","90","","2128.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I Li N2 O2 -","- C6 H10 I Li N2 O2 -","- C48 H80 I8 Li8 N16 O16 -","8","1","","Hongxia Wang; Hong Li; Bofei Xue; Zhaoxiang Wang; Qingbo Meng; Liquan Chen","Solid-State Composite Electrolyte LiI/3-Hydroxypropionitrile/SiO2 for Dye-Sensitized Solar Cells","Journal of the American Chemical Society","2005","127","","6394","6401","10.1021/ja043268p","","","0.71073","MoKα","","0.0274","0.0233","","","0.0565","0.0576","","","","","","1.075","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111643","16.122","0.002","15.48","0.002","22.026","0.003","90","","95.67","0.01","90","","5470.1","1.2","173","2","173","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C208 H196 F48 N16 O8 P12 Ru4 S12 -","4","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71073","MoKα","","0.0482","0.0318","","","0.0854","0.0914","","","","","","1.054","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111644","9.9392","0.0012","11.9992","0.0016","19.528","0.003","73.361","0.005","77.896","0.005","88.836","0.005","2179.9","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 F6 N4 P2 Ru S3 -","- C46 H36 F6 N4 P2 Ru S3 -","- C92 H72 F12 N8 P4 Ru2 S6 -","2","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71073","MoKα","","0.0631","0.0374","","","0.0882","0.1067","","","","","","1.063","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111645","12.8576","0.001","14.6776","0.0009","20.1152","0.001","77.793","0.007","89.283","0.007","87.576","0.008","3706.9","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H85 B F10 N4 P2 Ru S5 -","- C76 H84.542 B F10 N4 P2 Ru S5 -","- C152 H169.084 B2 F20 N8 P4 Ru2 S10 -","2","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71069","MoKα","","0.1337","0.0743","","","0.165","0.2162","","","","","","1.017","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111646","22.541","0.005","22.541","0.005","22.541","0.005","90","0.005","90","0.005","90","0.005","11453","4","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C59 H63 N5 O17 Zn4 -","- C42 H24 N2 O13 Zn4 -","- C336 H192 N16 O104 Zn32 -","8","0.166667","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1358","0.0898","","","0.2815","0.3019","","","","","","1.07","","","","has coordinates","213986","2020-10-21","18:00:00",""
"4111647","22.393","0.005","22.393","0.005","22.393","0.005","90","0.005","90","0.005","90","0.005","11229","4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C42 H24 N2 O13 Zn4 -","- C14 H8 N0.666667 O4.33333 Zn1.33333 -","- C336 H192 N16 O104 Zn32 -","24","1","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1584","0.072","","","0.1888","0.2537","","","","","","1.152","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111648","22.4509","0.0004","22.4509","0.0004","22.4509","0.0004","90","","90","","90","","11316.2","0.3","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C42 H24 N2 O13 Zn4 -","- C14 H8 N0.666667 O4.33333 Zn1.33333 -","- C336 H192 N16 O104 Zn32 -","24","0.5","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1185","0.0823","","","0.2442","0.2854","","","","","","1.17","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111649","9.0912","0.0018","18.649","0.004","28.255","0.006","90","","96.25","0.03","90","","4761.9","1.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Si -","- C30 H26 Si -","- C240 H208 Si8 -","8","2","","Gui Yu; Shiwei Yin; Yunqi Liu; Jiangshan Chen; Xinjun Xu; Xiaobo Sun; Dongge Ma; Xiaowei Zhan; Qian Peng; Zhigang Shuai; Benzhong Tang; Daoben Zhu; Weihai Fang; Yi Luo","Structures, Electronic States, Photoluminescence, and Carrier Transport Properties of 1,1-Disubstituted 2,3,4,5-Tetraphenylsiloles","Journal of the American Chemical Society","2005","127","","6335","6346","10.1021/ja044628b","","","0.71073","MoKα","","0.1466","0.0745","","","0.1908","0.2144","","","","","","1.027","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111650","10.189","0.0003","11.2713","0.0006","11.987","0.0005","88.827","0.0004","76.811","0.003","88.576","0.002","1339.75","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 Si -","- C35 H28 Si -","- C70 H56 Si2 -","2","1","","Gui Yu; Shiwei Yin; Yunqi Liu; Jiangshan Chen; Xinjun Xu; Xiaobo Sun; Dongge Ma; Xiaowei Zhan; Qian Peng; Zhigang Shuai; Benzhong Tang; Daoben Zhu; Weihai Fang; Yi Luo","Structures, Electronic States, Photoluminescence, and Carrier Transport Properties of 1,1-Disubstituted 2,3,4,5-Tetraphenylsiloles","Journal of the American Chemical Society","2005","127","","6335","6346","10.1021/ja044628b","","","0.71073","MoKα","","0.0962","0.0535","","","0.1093","0.1213","","","","","","0.92","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111651","28.423","0.003","6.5858","0.0008","17.641","0.002","90","","97.363","0.002","90","","3275","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","1","","Shengming Ma; Zhenhua Gu","PdCl2-Catalyzed Two-Component Cross-Coupling Cyclization of 2,3-Allenoic Acids with 2,3-Allenols. An Efficient Synthesis of 4-(1',3'-Dien-2'-yl)-2(5H)-furanone Derivatives","Journal of the American Chemical Society","2005","127","","6182","6183","10.1021/ja0500815","","","0.71073","MoKα","","0.0763","0.0534","","","0.1292","0.1419","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111652","13.085","0.001","7.901","0.0006","15.038","0.001","90","","90","","90","","1554.7","0.2","126.2","","126.2","","","","","","","","","3","P n a 21","P 2c -2n","33","Sterekunthal B","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Jeremiah P. Malerich; Thomas J. Maimone; Gregory I. Elliott; Dirk Trauner","Biomimetic Synthesis of Antimalarial Naphthoquinones","Journal of the American Chemical Society","2005","127","","6276","6283","10.1021/ja050092y","","","0.7107","MoKα","","0.0553","0.0458","","0.0573","0.0552","0.0552","","","","","","1.651","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111653","5.5937","0.0006","10.5483","0.0011","12.4593","0.0013","90","","90.314","0.002","90","","735.14","0.13","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ag4 F2 O6 V2 -","- Ag4 F2 O6 V2 -","- Ag16 F8 O24 V8 -","4","1","","Erin M. Sorensen; Heather K. Izumi; John T. Vaughey; Charlotte L. Stern; Kenneth R. Poeppelmeier","Ag4V2O6F2: An Electrochemically Active and High Silver Density Phase","Journal of the American Chemical Society","2005","127","","6347","6352","10.1021/ja050150f","","","0.71073","MoKα","","0.04","0.0342","","","0.0776","0.0813","","","","","","1.13","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111654","7.51","0.02","8.08","0.02","12.98","0.02","80.83","0.07","83.69","0.08","87.54","0.06","773","3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cl10 Ir2 Sn2 -","- C16 H24 Cl10 Ir2 Sn2 -","- C16 H24 Cl10 Ir2 Sn2 -","1","0.5","","Joyanta Choudhury; Susmita Podder; Sujit Roy","Cooperative Friedel-Crafts Catalysis in Heterobimetallic Regime: Alkylation of Aromatics by π-Activated Alcohols","Journal of the American Chemical Society","2005","127","","6162","6163","10.1021/ja0506004","","","0.71073","MoKα","","0.0538","0.0476","","","0.1199","0.1225","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111655","16.9601","0.001","6.23599","0.00029","7.28294","0.00033","90","","90","","90","","770.27","0.07","","","293","2","","","","","","","","5","C m c m","-C 2c 2","63","Hydrated Copper(II) bispyrazolate","catena-aquo-(bis(μ~2~-pyrazolato)-copper(ii))","","- C6 H8 Cu N4 O -","- C6 Cu N4 O -","- C24 Cu4 N16 O4 -","4","0.25","","Augusto Cingolani; Simona Galli; Norberto Masciocchi; Luciano Pandolfo; Claudio Pettinari; Angelo Sironi","Sorption-Desorption Behavior of Bispyrazolato-Copper(II) 1D Coordination Polymers","Journal of the American Chemical Society","2005","127","","6144","6145","10.1021/ja050856+","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111656","9.0553","0.0011","7.40105","0.00062","5.59697","0.00042","90","","99.4756","0.0072","90","","369.98","0.06","","","403","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Copper(II) bispyrazolate","catena-(bis(μ~2~-pyrazolato)-copper(ii)) (beta from)","","- C6 H6 Cu N4 -","- C6 Cu N4 -","- C12 Cu2 N8 -","2","0.5","","Augusto Cingolani; Simona Galli; Norberto Masciocchi; Luciano Pandolfo; Claudio Pettinari; Angelo Sironi","Sorption-Desorption Behavior of Bispyrazolato-Copper(II) 1D Coordination Polymers","Journal of the American Chemical Society","2005","127","","6144","6145","10.1021/ja050856+","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111657","27.382","0.004","10.834","0.002","18.963","0.005","90","","90","","90","","5625","2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H52 N3 Na Zn -","- C23 H52 N3 Na Zn -","- C184 H416 N24 Na8 Zn8 -","8","1","","Prokopis C. Andrikopoulos; David R. Armstrong; Helen R. L. Barley; William Clegg; Sophie H. Dale; Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Sodium Dialkyl-amidozincates: Alkyl or Amido Bases? An Experimental and Theoretical Case Study","Journal of the American Chemical Society","2005","127","","6184","6185","10.1021/ja050860l","","","0.71073","MoKα","","0.1255","0.08","","","0.2098","0.2414","","","","","","1.093","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111658","16.5118","0.0005","10.9189","0.0002","16.8603","0.0005","90","","111.755","0.001","90","","2823.26","0.13","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 N3 Na Zn -","- C25 H48 N3 Na Zn -","- C100 H192 N12 Na4 Zn4 -","4","1","","Prokopis C. Andrikopoulos; David R. Armstrong; Helen R. L. Barley; William Clegg; Sophie H. Dale; Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Sodium Dialkyl-amidozincates: Alkyl or Amido Bases? An Experimental and Theoretical Case Study","Journal of the American Chemical Society","2005","127","","6184","6185","10.1021/ja050860l","","","0.71073","MoKα","","0.1046","0.0467","","","0.0816","0.0963","","","","","","1.011","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111659","8.6508","0.0006","11.8054","0.0009","17.1606","0.0013","108.408","0.001","92.778","0.001","110.72","0.001","1529.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- manganese(ii)","","- C40 H8 Bi2 F48 Mn O16 -","- C40 H8 Bi2 F48 Mn O16 -","- C40 H8 Bi2 F48 Mn O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0403","0.037","","","0.0974","0.0996","","","","","","1.031","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111660","8.7717","0.0005","11.7532","0.0007","16.934","0.001","107.844","0.001","93.551","0.001","111.02","0.001","1521.96","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- iron(ii)","","- C40 H8 Bi2 F48 Fe O16 -","- C40 H8 Bi2 F48 Fe O16 -","- C40 H8 Bi2 F48 Fe O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0404","0.037","","","0.0984","0.101","","","","","","1.05","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111661","8.7556","0.0006","11.7149","0.0007","16.9468","0.0011","107.688","0.001","93.67","0.001","111.024","0.001","1516.29","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- cobalt(ii)","","- C40 H8 Bi2 Co F48 O16 -","- C40 H8 Bi2 Co F48 O16 -","- C40 H8 Bi2 Co F48 O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.035","0.0325","","","0.0871","0.0886","","","","","","1.041","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111662","8.796","0.0005","11.695","0.0007","16.8434","0.001","107.403","0.001","94.115","0.001","111.058","0.001","1511.37","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- nickel(ii)","","- C40 H8 Bi2 F48 Ni O16 -","- C40 H8 Bi2 F48 Ni O16 -","- C40 H8 Bi2 F48 Ni O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0604","0.0441","","","0.101","0.1074","","","","","","1.022","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111663","8.6959","0.0005","11.2432","0.0006","16.8765","0.0009","73.722","0.001","76.46","0.001","69.634","0.001","1467.66","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- copper(ii)","","- C40 H8 Bi2 Cu F48 O16 -","- C40 H8 Bi2 Cu F48 O16 -","- C40 H8 Bi2 Cu F48 O16 -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0221","0.021","","","0.0511","0.0516","","","","","","1.054","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111664","8.7341","0.0004","11.6818","0.0006","17.0724","0.0009","107.801","0.001","93.307","0.001","111.138","0.001","1519","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","di(bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-(mu2-1,1,1,5,5,5-hexafluoro- acetylacetonato)-bismuth(iii))-bis(1,1,1,5,5,5-hexafluoroacetylacetonato)- zinc(ii)","","- C40 H8 Bi2 F48 O16 Zn -","- C40 H8 Bi2 F48 O16 Zn -","- C40 H8 Bi2 F48 O16 Zn -","1","0.5","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.039","0.0375","","","0.0995","0.1007","","","","","","1.046","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111665","8.5897","0.0005","12.6092","0.0008","21.8838","0.0014","104.701","0.001","93.353","0.001","97.644","0.001","2261.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tris(1,1,1,5,5,5-hexafluoroacetylacetonato)-bismuth(iii)","","- C15 H3 Bi F18 O6 -","- C15 H3 Bi F18 O6 -","- C60 H12 Bi4 F72 O24 -","4","2","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0307","0.0273","","","0.068","0.0695","","","","","","1.034","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111666","20.3991","0.0011","7.8389","0.0004","20.312","0.0011","90","","109.276","0.001","90","","3065.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-zinc(ii)","","- C10 H2 F12 O4 Zn -","- C10 H2 F12 O4 Zn -","- C80 H16 F96 O32 Zn8 -","8","1","","Evgeny V. Dikarev; Haitao Zhang; Bo Li","Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates","Journal of the American Chemical Society","2005","127","","6156","6157","10.1021/ja051265m","","","0.71073","MoKα","","0.0707","0.0657","","","0.174","0.1783","","","","","","1.085","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111667","22.541","0.005","22.541","0.005","22.541","0.005","90","0.005","90","0.005","90","0.005","11453","4","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C59 H63 N5 O17 Zn4 -","- C48 H24 N5 O13 Zn4 -","- C384 H192 N40 O104 Zn32 -","8","0.166667","","Eun Young Lee; Seung Yeon Jang; Myunghyun Paik Suh","Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal-Organic Framework [Zn4O(NTB)2]","Journal of the American Chemical Society","2005","127","","6374","6381","10.1021/ja043756x","","","0.71073","MoKα","","0.1605","0.0978","","","0.2775","0.3103","","","","","","1.102","","4111646","","has coordinates","215354","2020-10-21","18:00:00",""
"4111669","43.32","0.01","7.1157","0.0016","15.208","0.003","90","","90","","90","","4687.9","1.8","120","2","120","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C68 H56 -","- C68 H56 -","- C272 H224 -","4","0.5","","Steven D. Karlen; Rafael Ortiz; Orville L. Chapman; Miguel A. Garcia-Garibay","Effects of Rotational Symmetry Order on the Solid State Dynamics of Phenylene and Diamantane Rotators","Journal of the American Chemical Society","2005","127","","6554","6555","10.1021/ja042512+","","","0.71073","MoKα","","0.1602","0.112","","","0.2496","0.2714","","","","","","1.151","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111670","18.94","0.01","24.79","0.02","24.33","0.01","90","","97.77","0.09","90","","11319","12","30","2","30","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Co(tmphen)2)3(Fe(CN)6)2).9H2O","'((Co(tmphen)2)3(Fe(CN)6)2).9H2O","","- C108 H114 Co3 Fe2 N24 O9 -","- C108 H96 Co3 Fe2 N24 O9 -","- C432 H384 Co12 Fe8 N96 O36 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.2097","0.1255","","","0.3021","0.3514","","","","","","1.094","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111671","19.04","0.04","24.77","0.05","24.56","0.05","90","","97.72","0.09","90","","11478","4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{Co(tmphen)2)3(Fe(CN)6)2}.12H2O","{Co(tmphen)2)3(Fe(CN)6)2}.12H2O","","- C108 H120 Co3 Fe2 N24 O12 -","- C108 H96 Co3 Fe2 N24 O12 -","- C432 H384 Co12 Fe8 N96 O48 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1204","0.0835","","","0.2368","0.2645","","","","","","1.043","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111672","19.02","0.01","25.03","0.02","24.65","0.02","90","","97.86","0.02","90","","11625","15","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.13H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.13H2O","","- C108 H122 Co3 Fe2 N24 O13 -","- C108 H96 Co3 Fe2 N24 O13 -","- C432 H384 Co12 Fe8 N96 O52 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1219","0.076","","","0.2058","0.2358","","","","","","1.035","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111673","19.054","0.014","24.95","0.02","24.782","0.018","90","","97.688","0.019","90","","11675","15","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{(Co(tmphen)2)3(Fe(CN)6)2}.11H2O","{(Co(tmphen)2)3(Fe(CN)6)2}.11H2O","","- C108 H118 Co3 Fe2 N24 O11 -","- C108 H96 Co3 Fe2 N24 O11 -","- C432 H384 Co12 Fe8 N96 O44 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1289","0.0971","","","0.2587","0.2881","","","","","","1.136","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111674","19.05","0.05","25.16","0.07","24.45","0.07","90","","97.62","0.06","90","","11615","6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.8H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.8H2O","","- C108 H112 Co3 Fe2 N24 O8 -","- C108 H96 Co3 Fe2 N24 O8 -","- C432 H384 Co12 Fe8 N96 O32 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1901","0.121","","","0.2919","0.3452","","","","","","0.989","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111675","19.09","0.019","25.21","0.03","24.69","0.02","90","","97.67","0.04","90","","11776","2","173","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Co(tmphen)2)3(Fe(CN)6)2).7H2O","((Co(tmphen)2)3(Fe(CN)6)2).7H2O","","- C108 H110 Co3 Fe2 N24 O7 -","- C108 H96 Co3 Fe2 N24 O7 -","- C432 H384 Co12 Fe8 N96 O28 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1344","0.0954","","","0.2664","0.2941","","","","","","1.013","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111676","19.223","0.004","25.188","0.005","24.805","0.005","90","","97.45","0.03","90","","11909","4","190","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","((Co(tmphen)2)3(Fe(CN)6)2).8H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.8H2O","","- C108 H112 Co3 Fe2 N24 O8 -","- C108 H96 Co3 Fe2 N24 O8 -","- C432 H384 Co12 Fe8 N96 O32 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1801","0.0997","","","0.2431","0.2933","","","","","","1.012","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111677","19.261","0.004","25.123","0.005","24.782","0.005","90","","97.74","0.03","90","","11883","4","210","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.9H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.9H2O","","- C108 H114 Co3 Fe2 N24 O9 -","- C108 H96 Co3 Fe2 N24 O8.99 -","- C432 H384 Co12 Fe8 N96 O35.96 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1076","0.0765","","","0.2234","0.2545","","","","","","1.034","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111678","19.04","0.02","24.91","0.03","24.62","0.04","90","","97.64","0.08","90","","11573","3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Co(tmphen)2]3[Fe(CN)6]2}.6H2O","{[Co(tmphen)2]3[Fe(CN)6]2}.6H2O","","- C108 H108 Co3 Fe2 N24 O6 -","- C108 H96 Co3 Fe2 N24 O6 -","- C432 H384 Co12 Fe8 N96 O24 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1167","0.0735","","","0.2089","0.2365","","","","","","1.035","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111679","18.86","0.03","25.22","0.03","29.69","0.05","90","","97.52","0.06","90","","14001","4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Na((Co(tmphen)2)3(Fe(CN)6)2)2ClO4.34H2O","","- C107 H164 Cl2 Co3 Fe2 N24 Na O42 -","- C107 H96 Cl2 Co3 Fe2 N24 Na O42 -","- C428 H384 Cl8 Co12 Fe8 N96 Na4 O168 -","4","1","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.1773","0.096","","","0.2443","0.2996","","","","","","1.009","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111680","18.53","0.003","18.53","0.003","31.483","0.006","90","","90","","120","","9362","3","110","2","110","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","{[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3","{[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3","","- C74 H88 Co3 Fe2.33 N26 O20 -","- C73.98 H48 Co3 Fe2.33 N25.98 O20.01 -","- C295.92 H192 Co12 Fe9.32 N103.92 O80.04 -","4","0.333333","","Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar","A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster","Journal of the American Chemical Society","2005","127","","6766","6779","10.1021/ja043162u","","","0.71073","MoKα","","0.0799","0.0699","","","0.1892","0.1963","","","","","","1.122","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111681","5.521","0.003","7.874","0.004","18.048","0.008","90","","96.83","0.04","90","","779","0.7","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C32 H52 O6 -","2","1","","Tarek Sammakia; Deidre M. Johns; Ganghyeok Kim; Martin A. Berliner","Remote Asymmetric Induction in an Intramolecular Ionic Diels-Alder Reaction: Application to the Total Synthesis of (+)-Dihydrocompactin","Journal of the American Chemical Society","2005","127","","6504","6505","10.1021/ja043506g","","","0.71073","MoKα","","0.0882","0.0512","","","0.1153","0.1304","","","","","","0.98","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111682","9.1369","0.0012","7.1216","0.001","16.715","0.002","90","","104.815","0.002","90","","1051.5","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Yellow Tl[Pt(CN)~2~(C~4~H~9~N~4~)","","","- C6 H9 N6 Pt Tl -","- C6 H9 N6 Pt Tl -","- C24 H36 N24 Pt4 Tl4 -","4","1","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.0438","0.028","","","0.0531","0.0583","","","","","","1.067","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111683","19.5045","0.0014","6.178","0.0004","8.4794","0.0006","90","","90","","90","","1021.76","0.12","90","2","90","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Red Tl[Pt(CN)~2~(C~4~H~9~N~4~)]","","","- C6 H9 N6 Pt Tl -","- C6 H9 N6 Pt Tl -","- C24 H36 N24 Pt4 Tl4 -","4","0.5","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.0364","0.0283","","","0.0739","0.0784","","","","","","1.075","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111684","10.7027","0.0013","18.094","0.002","16.504","0.002","90","","101.632","0.002","90","","3130.4","0.6","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","(Ph~4~As)[(C~4~H~9~N~4~)Pt(CN)~2~]^.^3.5H~2~O","","","- C30 H36 As N6 O3.5 Pt -","- C30 H36 As N6 O3.5 Pt -","- C120 H144 As4 N24 O14 Pt4 -","4","2","","Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch","Polymorphs with Varying Platinum(II)-Thallium(I) Interactions","Journal of the American Chemical Society","2005","127","","6512","6513","10.1021/ja050014a","","","0.71073","MoKα","","0.048","0.0447","","","0.1112","0.113","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111685","17.1345","0.0007","20.4994","0.0009","20.6618","0.0009","90","","105.575","0.001","90","","6990.9","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H62 Cl2 Cu2 N4 O3.75 -","- C72 H62 Cl2 Cu2 N4 O3.75 -","- C288 H248 Cl8 Cu8 N16 O15 -","4","2","","Joshua J. Van Veldhuizen; John E. Campbell; Russell E. Giudici; Amir H. Hoveyda","A Readily Available Chiral Ag-Based N-Heterocyclic Carbene Complex for Use in Efficient and Highly Enantioselective Ru-Catalyzed Olefin Metathesis and Cu-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2005","127","","6877","6882","10.1021/ja050179j","","","0.71073","MoKα","","0.1227","0.0805","","","0.23","0.2466","","","","","","0.993","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111686","16.5636","0.0018","20.131","0.002","21.073","0.002","90","","98.589","0.002","90","","6947.8","1.2","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H66 Ag2 Cl4 N4 O2 -","- C74 H66 Ag2 Cl4 N4 O2 -","- C296 H264 Ag8 Cl16 N16 O8 -","4","0.5","","Joshua J. Van Veldhuizen; John E. Campbell; Russell E. Giudici; Amir H. Hoveyda","A Readily Available Chiral Ag-Based N-Heterocyclic Carbene Complex for Use in Efficient and Highly Enantioselective Ru-Catalyzed Olefin Metathesis and Cu-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2005","127","","6877","6882","10.1021/ja050179j","","","0.71073","MoKα","","0.1039","0.0878","","","0.1906","0.1987","","","","","","1.18","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111687","11.315","0.0006","11.7401","0.0007","11.9111","0.0007","81.072","0.001","70.858","0.001","71.09","0.001","1411.98","0.14","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N4 O4 S2 -","- C30 H30 N4 O4 S2 -","- C60 H60 N8 O8 S4 -","2","1","","Konstantinos Kavallieratos; Jay M. Rosenberg; Wei-Zhong Chen; Tong Ren","Fluorescent Sensing and Selective Pb(II) Extraction by a Dansylamide Ion-Exchanger","Journal of the American Chemical Society","2005","127","","6514","6515","10.1021/ja050296e","","","0.71073","MoKα","","0.0584","0.0393","","","0.0996","0.1063","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111688","13.6067","0.0009","8.1374","0.0004","17.5031","0.0009","90","","109.835","0.003","90","","1823.02","0.18","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 B F4 Fe -","- C18 H26 B F4 Fe -","- C72 H104 B4 F16 Fe4 -","4","0.5","","Herwig Schottenberger; Klaus Wurst; Ulrich J. Griesser; Ram K. R. Jetti; Gerhard Laus; Rolfe H. Herber; Israel Nowik","57Fe-Labeled Octamethylferrocenium Tetrafluoroborate. X-ray Crystal Structures of Conformational Isomers, Hyperfine Interactions, and Spin-Lattice Relaxation by Moessbauer Spectroscopy","Journal of the American Chemical Society","2005","127","","6795","6801","10.1021/ja050452h","","","0.71073","MoKα","","0.0395","0.031","","","0.0796","0.0828","","","","","","1.053","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111689","8.4","0.001","8.503","0.001","25.916","0.004","90","","94.353","0.006","90","","1845.7","0.4","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B F4 Fe -","- C18 H26 B F4 Fe -","- C72 H104 B4 F16 Fe4 -","4","1","","Herwig Schottenberger; Klaus Wurst; Ulrich J. Griesser; Ram K. R. Jetti; Gerhard Laus; Rolfe H. Herber; Israel Nowik","57Fe-Labeled Octamethylferrocenium Tetrafluoroborate. X-ray Crystal Structures of Conformational Isomers, Hyperfine Interactions, and Spin-Lattice Relaxation by Moessbauer Spectroscopy","Journal of the American Chemical Society","2005","127","","6795","6801","10.1021/ja050452h","","","0.71073","MoKα","","0.1066","0.0578","","","0.1261","0.1414","","","","","","0.971","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111690","14.3989","0.0014","13.4806","0.0013","17.224","0.0016","90","","112.324","0.002","90","","3092.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[3,5-(i-Pr)2PzCu]3","","","- C27 H45 Cu3 N6 -","- C27 H45 Cu3 N6 -","- C108 H180 Cu12 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0279","0.0248","","","0.0657","0.0672","","","","","","1.078","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111691","15.0852","0.0007","18.0948","0.0009","13.116","0.0006","90","","100.771","0.001","90","","3517.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[3-(CF3)PzCu]3","","","- C12 H6 Cu3 F9 N6 -","- C12 H6 Cu3 F9 N6 -","- C96 H48 Cu24 F72 N48 -","8","2","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0949","0.0598","","","0.1467","0.1699","","","","","","1.012","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111692","12.7722","0.0005","22.3549","0.0009","7.45","0.0003","90","","107.766","0.001","90","","2025.69","0.14","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","[3-(CF3),5-(CH3)PzCu]3","","","- C15 H12 Cu3 F9 N6 -","- C15 H12 Cu3 F9 N6 -","- C60 H48 Cu12 F36 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0226","0.022","","","0.0583","0.0585","","","","","","1.059","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111693","11.7498","0.0004","19.5123","0.0007","13.1595","0.0005","90","","90.688","0.001","90","","3016.8","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[3-(CF3),5-(Ph)PzCu]3","","","- C30 H18 Cu3 F9 N6 -","- C30 H18 Cu3 F9 N6 -","- C120 H72 Cu12 F36 N24 -","4","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0348","0.031","","","0.0789","0.0809","","","","","","1.106","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111694","9.1553","0.0004","11.3906","0.0005","12.2324","0.0005","66.407","0.001","74.453","0.001","78.547","0.001","1120.21","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[3,5-(CF3)2Pz]3","","","- C15 H3 Cu3 F18 N6 -","- C15 H3 Cu3 F18 N6 -","- C30 H6 Cu6 F36 N12 -","2","1","","H. V. Rasika Dias; Himashinie V. K. Diyabalanage; Maha G. Eldabaja; Oussama Elbjeirami; Manal A. Rawashdeh-Omary; Mohammad A. Omary","Brightly Phosphorescent Trinuclear Copper(I) Complexes of Pyrazolates: Substituent Effects on the Supramolecular Structure and Photophysics","Journal of the American Chemical Society","2005","127","","7489","7501","10.1021/ja0427146","","","0.71073","MoKα","","0.0383","0.0356","","","0.0939","0.0968","","","","","","1.048","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111695","16.7624","0.0006","13.6917","0.0006","11.9969","0.0004","90","","106.005","0.0025","90","","2646.63","0.18","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 O6 -","- C9 H3 O6 -","- C108 H36 O72 -","12","3","","Fang Guo; Kenneth D. M. Harris","Structural Understanding of a Molecular Material that Is Accessed Only by a Solid-State Desolvation Process: The Scope of Modern Powder X-ray Diffraction Techniques","Journal of the American Chemical Society","2005","127","","7314","7315","10.1021/ja050733p","","","","","","","","","","","","","","","","","","","","","has coordinates","178887","2020-10-21","18:00:00",""
"4111696","11.905","0.002","19.325","0.003","17.425","0.003","90","","90","","90","","4008.9","1.1","375","2","375","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C15 H12 Co N5 O6 -","- C15 H12 Co N5 O6 -","- C120 H96 Co8 N40 O48 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0521","0.0448","","","0.1212","0.1287","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111697","12.22","0.004","19.151","0.007","17.46","0.006","90","","90","","90","","4086","2","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H18 Co N5 O7 -","- C17 H13 Co N5 O7 -","- C136 H104 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0562","0.0444","","","0.1277","0.1391","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111698","12.0529","0.0015","19.227","0.002","17.48","0.002","90","","90","","90","","4050.8","0.8","300","2","300","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H16 Co N5 O7 -","- C16 H16 Co N5 O7 -","- C128 H128 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0752","0.056","","","0.1526","0.1707","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111699","11.984","0.008","19.23","0.013","17.372","0.012","90","","90","","90","","4003","5","300","2","300","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C17 H15 Co N6 O6 -","- C17 H15 Co N6 O6 -","- C136 H120 Co8 N48 O48 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0841","0.0714","","","0.1899","0.1996","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111700","12.699","0.013","19.21","0.02","17.76","0.02","90","","90","","90","","4333","8","320","2","320","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C18 H18 Co N5 O7 -","- C18 H18 Co N5 O7 -","- C144 H144 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0943","0.0683","","","0.1709","0.1945","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111701","13.116","0.005","19.085","0.007","17.934","0.007","90","","90","","90","","4489","3","310","2","310","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C19 H20 Co N5 O7 -","- C19 H20 Co N5 O7 -","- C152 H160 Co8 N40 O56 -","8","0.5","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.1295","0.0944","","","0.2571","0.2962","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111702","11.372","0.0016","17.486","0.003","11.3736","0.0016","90","","114.319","0.002","90","","2061","0.5","305","2","305","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C16 H14 Cl2 Co N5 O6 -","- C16 H14 Cl2 Co N5 O6 -","- C64 H56 Cl8 Co4 N20 O24 -","4","1","","Gregory J. Halder; Cameron J. Kepert","In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material","Journal of the American Chemical Society","2005","127","","7891","7900","10.1021/ja042420k","","","0.71073","MoKα","","0.0505","0.0455","","","0.1236","0.129","","","","","","1.08","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111703","6.8229","0.0009","10.7754","0.0018","18.558","0.003","90","","90","","90","","1364.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Br N4 O5 -","- C11 H15 Br N4 O5 -","- C44 H60 Br4 N16 O20 -","4","1","","Frank Seela; Xiaohua Peng; Hong Li","Base-Pairing, Tautomerism, and Mismatch Discrimination of 7-Halogenated 7-Deaza-2'-deoxyisoguanosine: Oligonucleotide Duplexes with Parallel and Antiparallel Chain Orientation","Journal of the American Chemical Society","2005","127","","7739","7751","10.1021/ja0425785","","","0.71073","MoKα","","0.0659","0.0497","","","0.1206","0.1323","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111704","15.2552","0.001","16.7611","0.0011","21.8794","0.0014","90","","91.146","0.001","90","","5593.3","0.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1(2)","","","- C58 H82 F2 Fe2 N4 -","- C58 H82 F2 Fe2 N4 -","- C232 H328 F8 Fe8 N16 -","4","0.5","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0816","0.0543","","","0.1057","0.1134","","","","","","1.076","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111705","23.48","0.003","8.5555","0.0011","17.105","0.002","90","","108.491","0.003","90","","3258.7","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2","(diketiminate)iron(ii) fluoride","","- C35 H53 F Fe N2 -","- C35 H53 F Fe N2 -","- C140 H212 F4 Fe4 N8 -","4","0.5","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0608","0.0409","","","0.0886","0.0965","","","","","","1.03","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111706","10.0195","0.0011","12.4908","0.0013","18.648","0.002","107.879","0.002","103.667","0.002","91.076","0.002","2147.7","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","3","","","- C39 H63 B F4 Fe N2 O -","- C39 H63 B F4 Fe N2 O -","- C78 H126 B2 F8 Fe2 N4 O2 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0528","0.0399","","","0.1157","0.1221","","","","","","1.122","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111707","15.403","0.0008","26.3684","0.0015","19.7988","0.0011","90","","97.304","0.001","90","","7976.1","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","L(tBu)FeSSiMe3","","- C38 H62 Fe N2 S Si -","- C38 H62 Fe N2 S Si -","- C304 H496 Fe8 N16 S8 Si8 -","8","2","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1248","0.0479","","","0.0779","0.0952","","","","","","0.899","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111708","16.941","0.002","12.5476","0.0016","19.408","0.003","90","","90.781","0.002","90","","4125.2","1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5","","","- C40 H62 Fe N2 Si -","- C40 H62 Fe N2 Si -","- C160 H248 Fe4 N8 Si4 -","4","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0782","0.0453","","","0.0953","0.1133","","","","","","1.044","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111709","11.5959","0.0015","18.315","0.002","28.59","0.004","90","","98.87","0.002","90","","5999.3","1.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6(2)","","","- C62 H94 Fe2 N4 O -","- C62 H94 Fe2 N4 O -","- C248 H376 Fe8 N16 O4 -","4","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.2056","0.0791","","","0.1954","0.2344","","","","","","1.048","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111710","9.864","0.0009","12.2956","0.0011","17.9941","0.0016","96.695","0.002","97.672","0.002","112.544","0.002","1963.7","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","2(CH3CN)","","","- C39 H59 F Fe N4 -","- C39 H59 F Fe N4 -","- C78 H118 F2 Fe2 N8 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1025","0.0944","","","0.191","0.1943","","","","","","1.39","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111711","13.9028","0.0006","20.4954","0.0009","18.804","0.0006","90","","128.169","0.002","90","","4212.5","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2(tBupy)","","","- C44 H66 F Fe N3 -","- C44 H66 F Fe N3 -","- C176 H264 F4 Fe4 N12 -","4","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1164","0.0523","","","0.115","0.1383","","","","","","1.016","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111712","8.6321","0.001","12.4465","0.0014","18.43","0.002","92.217","0.002","91.025","0.002","99.486","0.002","1951","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","1(tBupy)","","","- C38 H54 F Fe N3 -","- C38 H54 F Fe N3 -","- C76 H108 F2 Fe2 N6 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.0789","0.0607","","","0.1699","0.1797","","","","","","1.073","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111713","8.9028","0.0008","12.657","0.0011","18.2746","0.0015","93.323","0.001","101.575","0.002","94.635","0.002","2004.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","1(CF3py)","","","- C42 H59 F4 Fe N3 O -","- C42 H59 F4 Fe N3 O -","- C84 H118 F8 Fe2 N6 O2 -","2","1","","Javier Vela; Jeremy M. Smith; Ying Yu; Nicole A. Ketterer; Christine J. Flaschenriem; Rene J. Lachicotte; Patrick L. Holland","Synthesis and Reactivity of Low-Coordinate Iron(II) Fluoride Complexes and Their Use in the Catalytic Hydrodefluorination of Fluorocarbons","Journal of the American Chemical Society","2005","127","","7857","7870","10.1021/ja042672l","","","0.71073","MoKα","","0.1494","0.086","","","0.2304","0.2739","","","","","","1.039","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111714","12.0916","0.0004","17.4974","0.0005","16.9911","0.0006","90","","107.961","0.001","90","","3419.65","0.19","200","2","200","2","","","","","","","chemical synthesis","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-triphenylphosphine-[P,S,S-tris(2-thiomethyl-N-pyrrolyl)- phosphine]chromium(0)","","- C35 H33 Cr N3 O2 P2 S3 -","- C35 H33 Cr N3 O2 P2 S3 -","- C140 H132 Cr4 N12 O8 P8 S12 -","4","1","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0673","0.0434","","0.1173","","0.1052","","","1.023","","","1.074","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111715","9.7378","0.0005","14.3953","0.0005","15.0391","0.0007","82.259","0.002","87.558","0.002","82.399","0.002","2069.93","0.16","200","2","200","2","","","","","","","chemical synthesis","7","P -1","-P 1","2","","Benzenedicarbonyl[P-bis(N-pyrrolyl)(2-thiomethyl-N-pyrrolyl)phosphine]- chromium(0)","","- C21 H20 Cr N3 O2 P S -","- C21 H20 Cr N3 O2 P S -","- C84 H80 Cr4 N12 O8 P4 S4 -","4","2","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0943","0.0483","","0.1162","","0.0978","","","1.009","","","1.068","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111716","8.0625","0.0001","13.2833","0.0002","10.8836","0.0002","90","","108.951","0.001","90","","1102.42","0.03","200","2","200","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","","(eta6-Benzene)dicarbonyl{P-bis(N-pyrrolyl)[2-(N,N-dimethylcarbamoyl)- pyrrolyl]phosphine}chromium(0)","","- C23 H23 Cr N4 O3 P -","- C23 H23 Cr N4 O3 P -","- C46 H46 Cr2 N8 O6 P2 -","2","1","","M. F. Semmelhack; Anatoly Chlenov; Douglas M. Ho","Accelerated Arene Ligand Exchange in the (Arene)Cr(CO)2L Series","Journal of the American Chemical Society","2005","127","","7759","7773","10.1021/ja042705x","","","0.71073","MoKα","","0.0585","0.0427","","0.1115","","0.1022","","","1.053","","","1.067","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111717","6.1482","0.0007","7.4742","0.0008","12.3697","0.0013","90","","95.089","0.002","90","","566.18","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H8 Cl4 N2 W -","- C5 H8 Cl4 N2 W -","- C10 H16 Cl8 N4 W2 -","2","1","","Omar J. Bchir; Kelly M. Green; Hiral M. Ajmera; Elizabeth A. Zapp; Timothy J. Anderson; Benjamin C. Brooks; Laurel L. Reitfort; David H. Powell; Khalil A. Abboud; Lisa McElwee-White","Tungsten Allylimido Complexes Cl4(RCN)W(NC3H5) as Single-Source CVD Precursors for WNxCyThin Films. Correlation of Precursor Fragmentation to Film Properties","Journal of the American Chemical Society","2005","127","","7825","7833","10.1021/ja043799d","","","0.71073","MoKα","","0.0469","0.0372","","","0.0883","0.0936","","","","","","1.047","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111718","10.2175","0.0008","10.217","","15.4618","0.0013","90","","90","","90","","1614.09","0.19","295","2","295","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C11 H8 Cu3 N3 S2 -","- C11 H8 Cu3 N3 S2 -","- C44 H32 Cu12 N12 S8 -","4","0.25","","Xian-Ming Zhang; Rui-Qin Fang; Hai-Shun Wu","A Twelve-Connected Cu6S4 Cluster-Based Coordination Polymer","Journal of the American Chemical Society","2005","127","","7670","7671","10.1021/ja050284t","","","0.71073","MoKα","","0.0384","0.0359","","","0.0942","0.0959","","","","","","1.038","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111719","12.0572","0.0014","18.3235","0.0017","20.0695","0.0018","90","","101.077","0.005","90","","4351.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 N2 Zr2 -","- C48 H72 N2 Zr2 -","- C192 H288 N8 Zr8 -","4","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0571","0.0354","","","0.0908","0.0977","","","","","","1.016","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111720","9.638","0.002","21.033","0.005","18.755","0.004","90","","103.166","0.004","90","","3702","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 I2 N2 Zr2 -","- C36 H54 I2 N2 Zr2 -","- C144 H216 I8 N8 Zr8 -","4","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0567","0.0356","","","0.0731","0.0786","","","","","","1.04","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111721","22.7229","0.0013","9.4395","0.0005","17.1227","0.001","90","","107.766","0.003","90","","3497.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl2 N2 Zr2 -","- C36 H54 Cl2 N2 Zr2 -","- C144 H216 Cl8 N8 Zr8 -","4","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0415","0.0277","","","0.0708","0.0748","","","","","","1.02","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111722","10.247","0.0004","10.4473","0.0005","11.0073","0.0005","84.16","0.001","65.265","0.001","71.607","0.001","1014.96","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H27 F3 N O3 S Zr -","- C19 H27 F3 N O3 S Zr -","- C38 H54 F6 N2 O6 S2 Zr2 -","2","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0692","0.0509","","","0.1047","0.1107","","","","","","1.011","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111723","9.8743","0.0007","11.2286","0.0008","11.5291","0.0009","64.17","0.001","68.031","0.001","80.648","0.001","1067.02","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N Zr -","- C25 H34 N Zr -","- C50 H68 N2 Zr2 -","2","1","","Wesley H. Bernskoetter; Jaime A. Pool; Emil Lobkovsky; Paul J. Chirik","Dinitrogen Functionalization with Terminal Alkynes, Amines, and Hydrazines Promoted by [(η5-C5Me4H)2Zr]2(μ2,η2,η2-N2): Observation of Side-On and End-On Diazenido Complexes in the Reduction of N2 to Hydrazine","Journal of the American Chemical Society","2005","127","","7901","7911","10.1021/ja050387b","","","0.71073","MoKα","","0.0439","0.0346","","","0.0812","0.0849","","","","","","1.027","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111724","11.9558","0.0004","14.8509","0.0005","14.1747","0.0005","90","","94.859","0.001","90","","2507.74","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 B11 Cl11 O2 -","- C7 H12 B11 Cl11 O2 -","- C28 H48 B44 Cl44 O8 -","4","1","","Evgenii S. Stoyanov; Stephan P. Hoffmann; Kee-Chan Kim; Fook S. Tham; Christopher A. Reed","The Structure of the H3O+ Hydronium Ion in Benzene","Journal of the American Chemical Society","2005","127","","7664","7665","10.1021/ja050401k","","","0.71073","MoKα","","0.0257","0.0211","","","0.0557","0.0582","","","","","","1.036","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111725","9.4895","0.0014","12.416","0.0017","17.999","0.003","73.906","0.003","80.344","0.003","75.092","0.003","1958.3","0.5","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 B11 Cl11 O -","- C25 H28 B11 Cl11 O -","- C50 H56 B22 Cl22 O2 -","2","1","","Evgenii S. Stoyanov; Stephan P. Hoffmann; Kee-Chan Kim; Fook S. Tham; Christopher A. Reed","The Structure of the H3O+ Hydronium Ion in Benzene","Journal of the American Chemical Society","2005","127","","7664","7665","10.1021/ja050401k","","","0.71073","MoKα","","0.0603","0.0373","","","0.0921","0.1082","","","","","","1.024","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111726","7.51","0.003","15.122","0.006","21.737","0.009","90","","90","","90","","2468.6","1.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-verticillyl p-iodobenzoate","(1S,3E,7E,11S,12S)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca- 3,7-dien-12-yl 4-iodobenzoate","","- C27 H37 I O2 -","- C27 H37 I O2 -","- C108 H148 I4 O8 -","4","1","","Yinghua Jin; David C. Williams; Rodney Croteau; Robert M. Coates","Taxadiene Synthase-Catalyzed Cyclization of 6-Fluorogeranylgeranyl Diphosphate to 7-Fluoroverticillenes","Journal of the American Chemical Society","2005","127","","7834","7842","10.1021/ja050592r","","","0.71073","MoKα","","0.0682","0.0325","","","0.0532","0.0592","","","","","","0.88","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111727","15.7131","0.0012","15.8159","0.0012","12.8624","0.0009","90","","101.421","0.002","90","","3133.2","0.4","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 P2 Ru -","- C36 H40 P2 Ru -","- C144 H160 P8 Ru4 -","4","1","","Hairong Guan; Masanori Iimura; Matthew P. Magee; Jack R. Norton; Guang Zhu","Ruthenium-Catalyzed Ionic Hydrogenation of Iminium Cations. Scope and Mechanism","Journal of the American Chemical Society","2005","127","","7805","7814","10.1021/ja0506861","","","0.71073","MoKα","","0.0499","0.03","","","0.0709","0.0759","","","","","","1.036","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111728","17.6272","0.001","11.2434","0.0006","13.457","0.0007","90","","90","","90","","2667","0.2","243","2","243","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 P2 Ru -","- C32 H32 P2 Ru -","- C128 H128 P8 Ru4 -","4","1","","Hairong Guan; Masanori Iimura; Matthew P. Magee; Jack R. Norton; Guang Zhu","Ruthenium-Catalyzed Ionic Hydrogenation of Iminium Cations. Scope and Mechanism","Journal of the American Chemical Society","2005","127","","7805","7814","10.1021/ja0506861","","","0.71073","MoKα","","0.0232","0.0217","","","0.0555","0.0563","","","","","","1.053","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111729","15.324","0.003","27.519","0.005","15.849","0.003","90","","115.333","0.003","90","","6041","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K-crypt)4(Pd2@Ge18)*2tol","","- C86 H160 Ge18 K4 N8 O24 Pd2 -","- C86 H160 Ge18 K4 N8 O24 Pd2 -","- C172 H320 Ge36 K8 N16 O48 Pd4 -","2","0.5","","Jose M. Goicoechea; Slavi C. Sevov","[(Pd-Pd)@Ge18]4-: A Palladium Dimer Inside the Largest Single-Cage Deltahedron","Journal of the American Chemical Society","2005","127","","7676","7677","10.1021/ja051224q","","","0.71073","MoKα","","0.0779","0.0497","","","0.1202","0.1328","","","","","","1.024","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4111730","22.764","0.005","19.015","0.004","29.285","0.006","90","","104.78","0.03","90","","12257","5","153","1","153","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H112 Br8 Cl N8 O31 Tb3 -","- C97 H66 Br8 Cl N8 O31 Tb3 -","- C388 H264 Br32 Cl4 N32 O124 Tb12 -","4","1","","Xiaoping Yang; Richard A. Jones","Anion Dependent Self-Assembly of ""Tetra-Decker"" and ""Triple-Decker"" Luminescent Tb(III) Salen Complexes","Journal of the American Chemical Society","2005","127","","7686","7687","10.1021/ja051292c","","","0.71073","MoKα","","0.2148","0.0845","","","0.1694","0.2178","","","","","","0.976","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111731","20.211","0.004","22.089","0.004","20.519","0.004","90","","114.69","0.03","90","","8323","3","153","1","153","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H78 Br6 Cl N6 O20 Tb3 -","- C78 H72 Br6 Cl N6 O20 Tb3 -","- C312 H288 Br24 Cl4 N24 O80 Tb12 -","4","1","","Xiaoping Yang; Richard A. Jones","Anion Dependent Self-Assembly of ""Tetra-Decker"" and ""Triple-Decker"" Luminescent Tb(III) Salen Complexes","Journal of the American Chemical Society","2005","127","","7686","7687","10.1021/ja051292c","","","0.71073","MoKα","","0.1851","0.0814","","","0.1519","0.1899","","","","","","1.015","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111732","11.38","0.003","12.774","0.003","20.598","0.006","97.506","0.005","100.016","0.006","111.15","0.003","2688.4","1.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.5 H64 Bi2 Zr -","- C61.5 H63.5 Bi2 Zr -","- C123 H127 Bi4 Zr2 -","2","1","","Yuzhong Wang; Brandon Quillian; Xiao-Juan Yang; Pingrong Wei; Zhongfang Chen; Chaitanya S. Wannere; Paul V. R. Schleyer; Gregory H. Robinson","A Metallocene-Complexed Dibismuthene: Cp2Zr(BiR)2 (Cp = C5H5; R = C6H3-2,6-Mes2)","Journal of the American Chemical Society","2005","127","","7672","7673","10.1021/ja051704h","","","0.71073","MoKα","","0.0767","0.0453","","","0.0841","0.0935","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111733","19.3","0.004","9.2553","0.0018","25.467","0.005","90","","90","","90","","4549.1","1.6","218","2","218","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 B N4 -","- C30 H26 B N4 -","- C240 H208 B8 N32 -","8","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.0788","0.0443","","","0.0948","0.1209","","","","","","1.03","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111734","14.293","0.006","19.354","0.008","9.355","0.004","90","","103.517","0.014","90","","2516.2","1.8","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N4 -","- C32 H30 B N4 -","- C128 H120 B4 N16 -","4","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.1127","0.0599","","","0.1397","0.1619","","","","","","1.031","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111735","13.519","0.003","16.22","0.004","15.878","0.004","90","","112.008","0.006","90","","3228","1.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 B N4 -","- C40 H46 B N4 -","- C160 H184 B4 N16 -","4","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.0954","0.0568","","","0.1396","0.1721","","","","","","1.061","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111736","19.777","0.004","10.4","0.002","35.503","0.007","90","","90","","90","","7302","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H56 Li2 N2 O2 Si2 -","- C34 H56 Li2 N2 O2 Si2 -","- C272 H448 Li16 N16 O16 Si16 -","8","2","","Carsten Strohmann; Daniel Schildbach; Dominik Auer","Selective Si-C Bond Cleavage as Synthetic Entry to a Functionalized Lithiosilane","Journal of the American Chemical Society","2005","127","","7968","7969","10.1021/ja050360s","","","0.71073","MoKα","","0.1163","0.0801","","","0.1663","0.1829","","","","","","1.02","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111737","25.083","0.01","36.373","0.015","5.759","0.002","90","","90","","90","","5254","4","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H18 O5 -","- C14 H18 O5 -","- C224 H288 O80 -","16","1","","Christopher J. Mortko; Miguel A. Garcia-Garibay","Green Chemistry Strategies Using Crystal-to-Crystal Photoreactions: Stereoselective Synthesis and Decarbonylation of trans-α,α'-Dialkenoylcyclohexanones","Journal of the American Chemical Society","2005","127","","7994","7995","10.1021/ja0508166","","","0.71073","MoKα","","0.0374","0.0312","","","0.0752","0.0777","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111738","10.1079","0.0016","7.5164","0.0011","16.973","0.003","90","","95.996","0.002","90","","1282.5","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Christopher J. Mortko; Miguel A. Garcia-Garibay","Green Chemistry Strategies Using Crystal-to-Crystal Photoreactions: Stereoselective Synthesis and Decarbonylation of trans-α,α'-Dialkenoylcyclohexanones","Journal of the American Chemical Society","2005","127","","7994","7995","10.1021/ja0508166","","","0.71073","MoKα","","0.1098","0.0983","","","0.2215","0.2258","","","","","","1.151","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111739","11.427","0.006","24.541","0.015","19.626","0.011","90","","90.29","0.02","90","","5504","5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H11 Au F30 N6 -","- C66 H11 Au F30 N6 -","- C264 H44 Au4 F120 N24 -","4","1","","Shigeki Mori; Atsuhiro Osuka","Aromatic and Antiaromatic Gold(III) Hexaphyrins with Multiple Gold-Carbon Bonds","Journal of the American Chemical Society","2005","127","","8030","8031","10.1021/ja051662x","","","0.71075","MoKα","","0.1328","0.0526","","","0.0886","0.0976","","","","","","0.784","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111740","17.983","0.007","26.93","0.01","28.196","0.01","90","","90","","90","","13655","9","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H8 Au2 Cl2 F30 N6 -","- C74 H8 Au2 Cl2 F30 N6 -","- C592 H64 Au16 Cl16 F240 N48 -","8","1","","Shigeki Mori; Atsuhiro Osuka","Aromatic and Antiaromatic Gold(III) Hexaphyrins with Multiple Gold-Carbon Bonds","Journal of the American Chemical Society","2005","127","","8030","8031","10.1021/ja051662x","","","0.71073","MoKα","","0.076","0.0507","","","0.1277","0.1451","","","","","","1.081","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111741","8.5611","0.0002","15.5772","0.0004","18.1567","0.0006","75.3201","0.0012","81.349","0.0011","80.6678","0.0012","2296.09","0.11","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H68 Si2 -","- C54 H68 Si2 -","- C108 H136 Si4 -","2","1","","Marcia M. Payne; Sean R. Parkin; John E. Anthony","Functionalized Higher Acenes: Hexacene and Heptacene","Journal of the American Chemical Society","2005","127","","8028","8029","10.1021/ja051798v","","","0.71073","MoKα","","0.1042","0.0547","","","0.1213","0.1392","","","","","","1.016","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111742","9.2305","0.0004","24.6811","0.0013","25.4062","0.0012","94.319","0.003","95.069","0.003","91.02","0.003","5747.3","0.5","200","0.2","200","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H70 Si8 -","- C52 H70 Si8 -","- C208 H280 Si32 -","4","2","","Marcia M. Payne; Sean R. Parkin; John E. Anthony","Functionalized Higher Acenes: Hexacene and Heptacene","Journal of the American Chemical Society","2005","127","","8028","8029","10.1021/ja051798v","","","1.54178","CuKα","","0.1598","0.0806","","","0.1848","0.2283","","","","","","1.018","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111743","14.2394","0.0004","31.381","0.002","14.2878","0.0007","90","","118.214","0.002","90","","5625.9","0.5","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C100 H136 Cu2 F12 N8 O28 S4 -","- C94 H124 Cu2 F12 N8 O28 S4 -","- C188 H248 Cu4 F24 N16 O56 S8 -","2","1","","J. Frantz Folmer-Andersen; Vincent M. Lynch; Eric V. Anslyn","Colorimetric Enantiodiscrimination of α-Amino Acids in Protic Media","Journal of the American Chemical Society","2005","127","","7986","7987","10.1021/ja052029e","","","0.71073","MoKα","","0.23","0.1046","","","0.1563","0.1772","","","","","","1.337","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111744","12.503","0.002","11.806","0.002","8.403","0.0014","90","","94.954","0.004","90","","1235.7","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0829","0.0469","","","0.109","0.1256","","","","","","0.854","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111745","9.0299","0.0017","9.5091","0.0018","9.0299","0.0017","90","","112.32","","90","","717.3","0.2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N O2 -","- C16 H20 N O2 -","- C32 H40 N2 O4 -","2","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0649","0.0589","","","0.1501","0.1562","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111746","9.0707","0.0014","9.0707","0.0014","32.245","0.009","90","","90","","90","","2653","0.9","193","2","193","2","","","","","","","","4","P 43","P 4cw","78","","","","- C12.44 H16.89 N0.89 O1.78 -","- C12.4444 H16.8889 N0.888889 O1.77778 -","- C112 H152 N8 O16 -","9","2.25","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.2038","0.0383","","","0.0384","0.0709","","","","","","0.613","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111747","9.641","0.002","14.903","0.003","9.119","0.0019","90","","90","","90","","1310.2","0.5","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0864","0.0827","","","0.1459","0.1471","","","","","","1.434","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111748","8.4126","0.0016","9.7041","0.0018","8.6749","0.0016","90","","110.046","0.005","90","","665.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C28 H38 N2 O4 -","2","1","","David A. Evans; Jimmy Wu","Enantioselective Syn-Selective Scandium-Catalyzed Ene Reactions","Journal of the American Chemical Society","2005","127","","8006","8007","10.1021/ja0522130","","","0.71073","MoKα","","0.0356","0.0348","","","0.095","0.0961","","","","","","1.05","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111749","13.922","0.003","15.656","0.004","16.346","0.004","90","","93.357","0.005","90","","3556.7","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H63 Hg0.5 Mo N O2 Si2 -","- C28 H63 Hg0.5 Mo N O2 Si2 -","- C112 H252 Hg2 Mo4 N4 O8 Si8 -","4","1","","Devon C. Rosenfeld; Peter T. Wolczanski; Khaldoon A. Barakat; Corneliu Buda; Thomas R. Cundari","3-Center-4-Electron Bonding in [(silox)2MoNtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate","Journal of the American Chemical Society","2005","127","","8262","8263","10.1021/ja051070e","","","0.71073","MoKα","","0.068","0.038","","","0.0805","0.0887","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111750","14.4602","0.0009","14.2263","0.0006","26.795","0.002","90","","94.999","0.006","90","","5491.2","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Mn2 N4 -","- C58 H82 Mn2 N4 -","- C232 H328 Mn8 N16 -","4","1","","Jianfang Chai; Hongping Zhu; A. Claudia Stückl; Herbert W. Roesky; Jörg Magull; Alessandro Bencini; Andrea Caneschi; Dante Gatteschi","Synthesis and Reaction of [{HC(CMeNAr)2}Mn]2 (Ar = 2,6-iPr2C6H3): The Complex Containing Three-Coordinate Manganese(I) with a Mn-Mn Bond Exhibiting Unusual Magnetic Properties and Electronic Structure","Journal of the American Chemical Society","2005","127","","9201","9206","10.1021/ja042269e","","","0.71073","MoKα","","0.0716","0.0414","","","0.0781","0.0825","","","","","","0.953","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111751","15.4921","0.0012","16.3958","0.0009","21.3688","0.0017","90","","90.802","0.006","90","","5427.3","0.7","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H82 Mn2 N4 O2 -","- C58 H82 Mn2 N4 O2 -","- C232 H328 Mn8 N16 O8 -","4","0.5","","Jianfang Chai; Hongping Zhu; A. Claudia Stückl; Herbert W. Roesky; Jörg Magull; Alessandro Bencini; Andrea Caneschi; Dante Gatteschi","Synthesis and Reaction of [{HC(CMeNAr)2}Mn]2 (Ar = 2,6-iPr2C6H3): The Complex Containing Three-Coordinate Manganese(I) with a Mn-Mn Bond Exhibiting Unusual Magnetic Properties and Electronic Structure","Journal of the American Chemical Society","2005","127","","9201","9206","10.1021/ja042269e","","","0.71073","MoKα","","0.0664","0.0421","","","0.0873","0.0962","","","","","","1.024","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111752","8.201","0.0008","22.308","0.002","24.79","0.002","90","","90","","90","","4535.3","0.7","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H68 N6 O8 -","- C44 H68 N6 O8 -","- C176 H272 N24 O32 -","4","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.1091","0.0643","","","0.1357","0.1519","","","","","","0.982","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111753","8.4195","0.0014","13.515","0.002","14.38","0.002","105.375","0.008","95.393","0.008","92.464","0.008","1566.8","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H45 N9 O -","- C32 H45 N9 O -","- C64 H90 N18 O2 -","2","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.1245","0.0623","","","0.136","0.1558","","","","","","0.89","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111754","12.8296","0.0014","13.624","0.0014","14.112","0.0014","118.715","0.004","105.839","0.004","100.505","0.004","1932.2","0.4","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C76 H112 N18 O7 -","- C76 H112 N18 O7 -","- C76 H112 N18 O7 -","1","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.0693","0.0465","","","0.0977","0.1063","","","","","","0.947","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111755","10.3141","0.0003","13.1178","0.0004","17.064","0.001","93.178","0.002","94.933","0.002","95.508","0.002","2284.83","0.17","183.2","","183.2","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 N3 O2 -","- C61 H62 N3 O2 -","- C122 H124 N6 O4 -","2","1","","X. Z. Yan; J. Pawlas; T. Goodson; J. F. Hartwig","Polaron Delocalization in Ladder Macromolecular Systems","Journal of the American Chemical Society","2005","127","","9105","9116","10.1021/ja050184n","","","0.7107","MoKalpha","","","0.0606","","","0.0775","","","","","3.501","3.501","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111756","7.328","0.002","7.328","0.002","16.795","0.006","90","","90","","120","","781.1","0.4","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","plumbojarosite","lead triiron(iii)bis(sulfate)hexahyrdoxide","","- Fe3 H6 O14 Pb0.5 S2 -","- Fe3 H6 O14 Pb0.5 S2 -","- Fe9 H18 O42 Pb1.5 S6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0297","0.0268","","","0.0538","0.0552","","","","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111757","7.33","0.0009","7.33","0.0009","16.497","0.003","90","","90","","120","","767.62","0.19","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","argentojarosite","silver triiron(iii)bis(sulfate)hexahyrdoxide","","- Ag Fe3 H6 O14 S2 -","- Ag Fe3 H6 O14 S2 -","- Ag3 Fe9 H18 O42 S6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0259","0.0255","","","0.0642","0.0644","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111758","7.3226","0.0007","7.3226","0.0007","17.61","0.002","90","","90","","120","","817.75","0.14","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","thallium jarosite","thallium triiron(iii)bis(sulfate)hexahyrdoxide","","- Fe3 H6 O14 S2 Tl -","- Fe3 H12 O14 S2 Tl -","- Fe9 H36 O42 S6 Tl3 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0207","0.0207","","","0.0546","0.0546","","","","","","1.292","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111759","7.3902","0.0009","7.3902","0.0009","17.498","0.003","90","","90","","120","","827.6","0.2","183","2","183","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","potassium triiron(iii)bis(selenate)hexahyrdoxide","","- Fe3 H6 K O14 Se2 -","- Fe3 H6 K O14 Se2 -","- Fe9 H18 K3 O42 Se6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0374","0.0367","","","0.0781","0.0786","","","","","","1.245","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111760","7.4022","0.0016","7.4022","0.0016","17.816","0.005","90","","90","","120","","845.4","0.4","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","rubidium triiron(iii)bis(sulfate)hexahyrdoxide","","- Fe3 H6 O14 Rb Se2 -","- Fe3 H6 O14 Rb Se2 -","- Fe9 H18 O42 Rb3 Se6 -","3","0.0833333","","Bart M. Bartlett; Daniel G. Nocera","Long-Range Magnetic Ordering in Iron Jarosites Prepared by Redox-Based Hydrothermal Methods","Journal of the American Chemical Society","2005","127","","8985","8993","10.1021/ja050205d","","","0.71073","MoKα","","0.0162","0.0156","","","0.0433","0.0436","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111761","20","0.004","20","0.004","71.74","0.02","90","","90","","120","","24851","10","93.1","","","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C84 H187 N41 O56 Ru Zn6 -","- C84 H144 N39 O50 Ru Zn6 -","- C504 H864 N234 O300 Ru6 Zn36 -","6","0.5","","Shin Aoki; Mohd Zulkefeli; Motoo Shiro; Masanori Kohsako; Kei Takeda; Eiichi Kimura","A Luminescence Sensor of Inositol 1,4,5-Triphosphate and Its Model Compound by Ruthenium-Templated Assembly of a Bis(Zn2±Cyclen) Complex Having a 2,2'-Bipyridyl Linker (Cyclen = 1,4,7,10-Tetraazacyclododecane)","Journal of the American Chemical Society","2005","127","","9129","9139","10.1021/ja050876b","","","1.54175","CuKα","","","0.133","","","","0.366","","","","","","1.157","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4111762","7.6487","0.0013","14.877","0.003","16.803","0.003","90","","90","","90","","1912","0.6","119","","119","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O -","- C22 H30 N2 O -","- C88 H120 N8 O4 -","4","1","","Szilárd Csihony; Darcy A. Culkin; Alan C. Sentman; Andrew P. Dove; Robert M. Waymouth; James L. Hedrick","Single-Component Catalyst/Initiators for the Organocatalytic Ring-Opening Polymerization of Lactide","Journal of the American Chemical Society","2005","127","","9079","9084","10.1021/ja050909n","","","0.71073","MoKα","","0.0699","0.0471","","","0.1088","0.122","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111763","19.117","0.004","10.657","0.002","17.412","0.004","90","","94.24","0.03","90","","3537.6","1.3","20","","20","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","","0.394","synchrotron","","0.1337","0.0841","","","0.2229","0.2724","","","","","","1.069","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111764","19.042","0.004","10.657","0.002","17.324","0.004","90","","94.27","0.03","90","","3505.8","1.3","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.1016","0.0517","","","0.126","0.206","","","","","","1.203","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111765","19.0378","0.0004","10.6843","0.0002","17.3365","0.0004","90","","94.332","0.001","90","","3516.27","0.13","125","","125","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0926","0.0508","","","0.1281","0.2044","","","","","","1.201","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111766","19.0605","0.0004","10.6978","0.0002","17.3234","0.0004","90","","94.324","0.001","90","","3522.28","0.13","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0908","0.051","","","0.1308","0.2073","","","","","","1.21","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111767","19.077","0.0004","10.728","0.0002","17.326","0.0004","90","","94.355","0.001","90","","3535.67","0.13","175","","175","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0914","0.0505","","","0.1261","0.2005","","","","","","1.195","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111768","19.0867","0.0004","10.7531","0.0002","17.322","0.0004","90","","94.392","0.001","90","","3544.75","0.13","200","","200","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0915","0.0487","","","0.129","0.2037","","","","","","1.245","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111769","19.0977","0.0004","10.7768","0.0002","17.3233","0.0004","90","","94.45","0.001","90","","3554.6","0.13","225","","225","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0911","0.0473","","","0.1246","0.1934","","","","","","1.228","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111770","19.0942","0.0004","10.7964","0.0003","17.3098","0.0004","90","","94.496","0.001","90","","3557.41","0.15","250","","250","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0915","0.0458","","","0.1248","0.1905","","","","","","1.238","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111771","19.1084","0.0005","10.8267","0.0003","17.31","0.0004","90","","94.551","0.001","90","","3569.82","0.16","275","","275","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0908","0.0454","","","0.1186","0.1799","","","","","","1.192","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111772","19.1115","0.0005","10.8542","0.0003","17.2982","0.0004","90","","94.603","0.001","90","","3576.77","0.16","300","","300","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0895","0.0439","","","0.1191","0.1716","","","","","","1.192","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111773","19.1076","","10.6527","","17.3907","","90","","94.172","","90","","3530.45","","20","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn2.5 N2 O14 -","- C136 H136 Mn10 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","","0.394","Synchrotron","","0.0648","0.0378","","","","0.074","","","","","","0.632","","","","has coordinates","192344","2020-10-21","18:00:00",""
"4111774","10.9696","0.0009","11.216","0.001","19.9887","0.0018","74.715","0.002","76.962","0.002","67.327","0.002","2167.6","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H52 N2 P2 Ru -","- C53 H52 N2 P2 Ru -","- C106 H104 N4 P4 Ru2 -","2","1","","Christine Bibal; Yegor D. Smurnyy; Maren Pink; Kenneth G. Caulton","Exceptionally Facile CO Addition to a Saturated Ruthenium Complex","Journal of the American Chemical Society","2005","127","","8944","8945","10.1021/ja051296h","","","0.71073","MoKα","","0.0318","0.0264","","","0.0703","0.0735","","","","","","1.051","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4111775","14.1027","0.0013","15.1314","0.0014","20.8888","0.0019","90","","90","","90","","4457.5","0.7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53.29 H52.71 N2 O1.36 P2 Ru -","- C53.29 H52.71 N2 O1.355 P2 Ru -","- C213.16 H210.84 N8 O5.42 P8 Ru4 -","4","1","","Christine Bibal; Yegor D. Smurnyy; Maren Pink; Kenneth G. Caulton","Exceptionally Facile CO Addition to a Saturated Ruthenium Complex","Journal of the American Chemical Society","2005","127","","8944","8945","10.1021/ja051296h","","","0.71073","MoKα","","0.0339","0.0301","","","0.0717","0.0748","","","","","","1.104","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4111776","10.42","0.002","11.869","0.002","18.348","0.004","89.164","0.003","87.914","0.003","73.491","0.003","2174.2","0.7","153","2","153","2","","","","","","","","4","P -1","-P 1","2","trimer","1-(5-(2-(3,5-dimethyl-2-thienyl)hexafluorocyclopententen- 1-yl)-2,4-dimethyl-3-thienyl)-2-(5-(2-(2,4-dimethyl-5- phenyl-3-thienyl)hexafluorocyclopentene-1-yl)-2,4-dimethyl- 3-thienyl)hexafluorocyclopentene","","- C45 H30 F18 S4 -","- C45 H30 F18 S4 -","- C90 H60 F36 S8 -","2","1","","Kenji Higashiguchi; Kenji Matsuda; Naoki Tanifuji; Masahiro Irie","Full-Color Photochromism of a Fused Dithienylethene Trimer","Journal of the American Chemical Society","2005","127","","8922","8923","10.1021/ja051467i","","","0.71073","MoKα","","0.1064","0.0639","","","0.1966","0.2417","","","","","","0.844","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111777","10.4196","0.0032","13.1815","0.004","15.9818","0.0045","95.573","0.003","103.307","0.001","112.526","0.004","1930.8","1","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 Fe N3 Ni O2 P S4 -","- C36 H36 Fe N3 Ni O2 P S4 -","- C72 H72 Fe2 N6 Ni2 O4 P2 S8 -","2","1","","Zilong Li; Yasuhiro Ohki; Kazuyuki Tatsumi","Dithiolato-Bridged Dinuclear Iron-Nickel Complexes [Fe(CO)2(CN)2(μ-SCH2CH2CH2S)Ni(S2CNR2)]-Modeling the Active Site of [NiFe] Hydrogenase","Journal of the American Chemical Society","2005","127","","8950","8951","10.1021/ja051590+","","","0.7107","MoKα","","","0.0462","","","","0.0777","","","","","","1.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111778","13.0487","0.0038","16.8085","0.0037","19.9536","0.0041","65.103","0.011","74.969","0.01","89.502","0.014","3808.6","1.7","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C74 H72 Fe2 N6 Ni2 O4 P2 S8 -","- C74 H72 Fe2 N6 Ni2 O4 P2 S8 -","- C148 H144 Fe4 N12 Ni4 O8 P4 S16 -","2","1","","Zilong Li; Yasuhiro Ohki; Kazuyuki Tatsumi","Dithiolato-Bridged Dinuclear Iron-Nickel Complexes [Fe(CO)2(CN)2(μ-SCH2CH2CH2S)Ni(S2CNR2)]-Modeling the Active Site of [NiFe] Hydrogenase","Journal of the American Chemical Society","2005","127","","8950","8951","10.1021/ja051590+","","","0.7107","MoKα","","","0.0426","","","","0.0574","","","","","","1.205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111779","13.56","0.002","17.953","0.002","20.181","0.002","65.233","0.004","77.021","0.004","86.502","0.005","4344","0.9","173.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C94 H88 Fe2 K N4 O6 P3 S4 -","- C94 H88 Fe2 K N4 O6 P3 S4 -","- C188 H176 Fe4 K2 N8 O12 P6 S8 -","2","1","","Zilong Li; Yasuhiro Ohki; Kazuyuki Tatsumi","Dithiolato-Bridged Dinuclear Iron-Nickel Complexes [Fe(CO)2(CN)2(μ-SCH2CH2CH2S)Ni(S2CNR2)]-Modeling the Active Site of [NiFe] Hydrogenase","Journal of the American Chemical Society","2005","127","","8950","8951","10.1021/ja051590+","","","0.7107","MoKα","","","0.0459","","","","0.0652","","","","","","1.464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111780","11.7291","0.0011","15.5341","0.0014","15.7892","0.0014","106.088","0.002","109.458","0.002","104.263","0.002","2417.3","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H148 Na2 O20 V2 -","- C92 H148 Na2 O20 V2 -","- C92 H148 Na2 O20 V2 -","1","0.5","","Cindy-Xing Yin; Richard G. Finke","Vanadium-Based, Extended Catalytic Lifetime Catechol Dioxygenases: Evidence for a Common Catalyst","Journal of the American Chemical Society","2005","127","","9003","9013","10.1021/ja051594e","","","0.71073","MoKα","","0.1047","0.0627","","","0.165","0.1897","","","","","","1.036","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111781","11.747","0.003","12.235","0.003","20.608","0.006","83.463","0.005","73.939","0.005","75.432","0.004","2751.6","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H80 N2 O4 Zn -","- C56 H80 N2 O4 Zn -","- C112 H160 N4 O8 Zn2 -","2","1","","Cindy-Xing Yin; Richard G. Finke","Vanadium-Based, Extended Catalytic Lifetime Catechol Dioxygenases: Evidence for a Common Catalyst","Journal of the American Chemical Society","2005","127","","9003","9013","10.1021/ja051594e","","","0.71073","MoKα","","0.0951","0.06","","","0.1444","0.1687","","","","","","1.028","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111782","6.0667","0.0009","6.0667","0.0009","6.0667","0.0009","90","","90","","90","","223.28","0.06","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ag Sb Te2 -","- Ag1.005 Sb0.995 Te2 -","- Ag2.01 Sb1.99 Te4 -","2","0.0416667","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0498","0.043","","","0.1687","0.181","","","","","","1.139","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111783","4.2898","0.0006","4.2898","0.0006","6.0667","0.0012","90","","90","","90","","111.64","0.03","293","2","293","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ag Sb Te2 -","- Ag Sb Te2 -","- Ag Sb Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0353","0.0279","","","0.0831","0.0896","","","","","","1.124","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111784","4.2898","0.0006","4.2898","0.0006","21.016","0.004","90","","90","","120","","334.93","0.09","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag Sb Te2 -","- Ag Sb Te2 -","- Ag3 Sb3 Te6 -","3","0.0833333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0434","0.0284","","","0.0938","0.1127","","","","","","1.107","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111785","6.2173","0.0008","6.2173","0.0008","6.2173","0.0008","90","","90","","90","","240.33","0.05","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag1.33 Pb1.33 Sb1.33 Te4 -","- Ag1.35 Pb1.33 Sb1.32 Te4 -","- Ag1.35 Pb1.33 Sb1.32 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0425","0.0157","","","0.0477","0.0577","","","","","","1.185","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111786","4.3963","0.0006","4.3963","0.0006","6.2173","0.0012","90","","90","","90","","120.16","0.03","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.67 Pb0.67 Sb0.67 Te2 -","- Ag0.67 Pb0.66 Sb0.67 Te2 -","- Ag0.67 Pb0.66 Sb0.67 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0307","0.0112","","","0.0323","0.043","","","","","","1.028","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111787","6.4173","0.0008","6.4173","0.0008","6.4173","0.0008","90","","90","","90","","264.28","0.06","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag0.5 Pb3 Sb0.5 Te4 -","- Ag0.5 Pb3.01 Sb0.49 Te4 -","- Ag0.5 Pb3.01 Sb0.49 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0629","0.0273","","","0.054","0.0766","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111788","4.5377","0.0006","4.5377","0.0006","6.4173","0.0013","90","","90","","90","","132.14","0.04","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.25 Pb1.5 Sb0.25 Te2 -","- Ag0.25 Pb1.5 Sb0.25 Te2 -","- Ag0.25 Pb1.5 Sb0.25 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0431","0.0247","","","0.0495","0.0593","","","","","","1.194","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111789","6.428","0.0011","6.428","0.0011","6.428","0.0011","90","","90","","90","","265.6","0.08","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag0.38 Pb3.23 Sb0.38 Te4 -","- Ag0.38 Pb3.24 Sb0.38 Te4 -","- Ag0.38 Pb3.24 Sb0.38 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0486","0.0262","","","0.075","0.09","","","","","","1.287","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111790","4.5453","0.0006","4.5453","0.0006","6.428","0.0013","90","","90","","90","","132.8","0.04","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.19 Pb1.62 Sb0.19 Te2 -","- Ag0.19 Pb1.62 Sb0.19 Te2 -","- Ag0.19 Pb1.62 Sb0.19 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0331","0.0237","","","0.073","0.0792","","","","","","1.219","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111791","6.4404","0.0012","6.4404","0.0012","6.4404","0.0012","90","","90","","90","","267.14","0.09","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag0.25 Pb3.5 Sb0.25 Te4 -","- Ag0.25 Pb3.5 Sb0.25 Te4 -","- Ag0.25 Pb3.5 Sb0.25 Te4 -","1","0.0208333","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0492","0.0208","","","0.0472","0.0628","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111792","4.5538","0.0006","4.5538","0.0006","6.4404","0.0014","90","","90","","90","","133.56","0.04","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.13 Pb1.75 Sb0.13 Te2 -","- Ag0.12 Pb1.75 Sb0.12 Te2 -","- Ag0.12 Pb1.75 Sb0.12 Te2 -","1","0.0625","","Eric Quarez; Kuei-Fang Hsu; Robert Pcionek; N. Frangis; E. K. Polychroniadis; Mercouri G. Kanatzidis","Nanostructuring, Compositional Fluctuations, and Atomic Ordering in the Thermoelectric Materials AgPbmSbTe2+m. The Myth of Solid Solutions","Journal of the American Chemical Society","2005","127","","9177","9190","10.1021/ja051653o","","","0.71073","MoKα","","0.0335","0.0209","","","0.0469","0.0545","","","","","","1.061","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111793","10.595","0.006","18.095","0.004","16.82","0.003","90","","96.04","0.02","90","","3207","2","125.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H45 P S -","- C37 H45 P S -","- C148 H180 P4 S4 -","4","1","","Fumiki Murakami; Shigeru Sasaki; Masaaki Yoshifuji","Phosphaquinomethane and Phosphathienoquinomethanes, and Their Anion Radicals","Journal of the American Chemical Society","2005","127","","8926","8927","10.1021/ja052271l","","","0.7107","MoKα","","","0.0351","","","","0.0478","","","","","","1.342","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111794","12.224","0.002","8.8408","0.0015","13.842","0.002","90","","111.607","0.003","90","","1390.8","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N O6 Si -","- C26 H41 N O6 Si -","- C52 H82 N2 O12 Si2 -","2","1","","Leleti Rajender Reddy; Jean-François Fournier; B. V. Subba Reddy; E. J. Corey","An Efficient, Stereocontrolled Synthesis of a Potent Omuralide-Salinosporin Hybrid for Selective Proteasome Inhibition","Journal of the American Chemical Society","2005","127","","8974","8976","10.1021/ja052376o","","","0.71073","MoKα","","0.0805","0.0759","","","0.1794","0.1824","","","","","","1.169","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111795","10.2343","0.0005","19.118","0.001","20.9287","0.001","67.553","0.003","86.753","0.003","83.63","0.003","3760.8","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C97 H105 Cd3 Cl12 N9 O21 -","- C100 H48 Cd3 Cl12 N7.5 O15.5 -","- C100 H48 Cd3 Cl12 N7.5 O15.5 -","1","1","","Chuan-De Wu; Aiguo Hu; Lin Zhang; Wenbin Lin","A Homochiral Porous Metal-Organic Framework for Highly Enantioselective Heterogeneous Asymmetric Catalysis","Journal of the American Chemical Society","2005","127","","8940","8941","10.1021/ja052431t","","","0.71073","MoKα","","0.12","0.0827","","","0.222","0.2582","","","","","","1.079","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111796","20.059","0.005","4.8678","0.0011","16.912","0.004","90","","115.89","0.004","90","","1485.6","0.6","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","David A. Evans; Keith R. Fandrick; Hyun-Ji Song","Enantioselective Friedel-Crafts Alkylations of α,β-Unsaturated 2-Acyl Imidazoles Catalyzed by Bis(oxazolinyl)pyridine-Scandium(III) Triflate Complexes","Journal of the American Chemical Society","2005","127","","8942","8943","10.1021/ja052433d","","","0.71073","MoKα","","0.0824","0.0593","","","0.1188","0.1299","","","","","","1.117","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111797","8.3411","0.0003","11.494","0.001","17.698","0.001","90","","92.327","0.002","90","","1695.35","0.19","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Hang Yin; Gui-in Lee; Kristine A. Sedey; Olaf Kutzki; Hyung Soon Park; Brendan P. Orner; Justin T. Ernst; Hong-Gang Wang; Said M. Sebti; Andrew D. Hamilton","Terphenyl-Based Bak BH3 α-Helical Proteomimetics as Low-Molecular-Weight Antagonists of Bcl-xL","Journal of the American Chemical Society","2005","127","","10191","10196","10.1021/ja050122x","","","0.7107","MoKalpha","","","0.0496","","","0.0621","","","","","2.828","2.828","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111798","12.916","0.002","13.027","0.002","21.059","0.005","101.03","0.05","100.74","0.05","91.62","0.05","3409.4","1.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H68 Fe2 Hg O12 P4 Pt Si2 -","- C68 H68 Fe2 Hg O12 P4 Pt Si2 -","- C136 H136 Fe4 Hg2 O24 P8 Pt2 Si4 -","2","1","","Walter Schuh; Pierre Braunstein; Marc Bénard; Marie-Madeleine Rohmer; Richard Welter","Metal ""Capture"" by a Heterotrimetalloligand, Heterometallic d10-d10 Interactions, and Unexpected Iron-to-Platinum Silyl Ligand Migration: a Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2005","127","","10250","10258","10.1021/ja051389z","","","0.71069","MoKα","","0.0547","0.036","","","0.0897","0.0959","","","","","","1.024","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111799","4.88","0.01","5.75","0.01","29.07","0.05","94.01","0.09","90.78","0.08","105.03","0.09","785","3","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 N4 S4 -","- C18 H8 N4 S4 -","- C36 H16 N8 S8 -","2","1","","Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita","High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2005","127","","10142","10143","10.1021/ja051755e","","","0.7107","MoKα","","","0.0949","","","","0.2139","","","","","","0.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111800","5.929","0.009","7.85","0.01","18.07","0.03","86.44","0.06","82.6","0.06","85.47","0.06","830","2","93.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H12 S4 -","- C22 H12 S4 -","- C44 H24 S8 -","2","1","","Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita","High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2005","127","","10142","10143","10.1021/ja051755e","","","0.7107","MoKα","","","0.0794","","","","0.2367","","","","","","1.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111801","8.65","0.01","9.51","0.01","9.43","0.01","74.06","0.04","65.35","0.05","63.74","0.05","628.4","1.2","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H4 N4 S4 -","- C10 H4 N4 S4 -","- C20 H8 N8 S8 -","2","1","","Naraso; Jun-ichi Nishida; Shinji Ando; Jun Yamaguchi; Kenji Itaka; Hideomi Koinuma; Hirokazu Tada; Shizuo Tokito; Yoshiro Yamashita","High-Performance Organic Field-Effect Transistors Based on π-Extended Tetrathiafulvalene Derivatives","Journal of the American Chemical Society","2005","127","","10142","10143","10.1021/ja051755e","","","0.7107","MoKα","","","0.1003","","","","0.3655","","","","","","1.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111802","33.844","0.006","9.5051","0.0016","22.643","0.004","90","","121.374","0.003","90","","6219","1.9","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H29.5 O P Re S3 -","- C34.5 H29.5 O P Re S3 -","- C276 H236 O8 P8 Re8 S24 -","8","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0447","0.0299","","","0.0692","0.0763","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111803","8.2037","0.0014","19.187","0.003","17.022","0.003","90","","95.461","0.003","90","","2667.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 P Re S3 -","- C28 H28 P Re S3 -","- C112 H112 P4 Re4 S12 -","4","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0392","0.0264","","","0.0596","0.0648","","","","","","1.028","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111804","17.345","0.004","10.982","0.002","23.929","0.005","90","","110.753","0.003","90","","4262.3","1.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Cl O P Re S2 -","- C20 H19 Cl O P Re S2 -","- C160 H152 Cl8 O8 P8 Re8 S16 -","8","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0668","0.0447","","","0.096","0.1052","","","","","","1.079","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111805","10.247","0.002","30.973","0.006","10.28","0.002","90","","100.432","0.003","90","","3208.7","1.1","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl O P Re S2 -","- C34 H30 Cl O P Re S2 -","- C136 H120 Cl4 O4 P4 Re4 S8 -","4","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0728","0.0502","","","0.1062","0.1146","","","","","","1.123","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111806","9.272","0.003","11.444","0.003","12.909","0.004","82.415","0.005","80.987","0.004","76.334","0.005","1308.1","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 O P Re S3 -","- C27 H26 O P Re S3 -","- C54 H52 O2 P2 Re2 S6 -","2","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0496","0.0364","","","0.0893","0.0964","","","","","","0.953","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111807","10.87","0.003","18.284","0.005","12.674","0.003","90","","110.978","0.005","90","","2352","1.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 O P Re S3 -","- C25 H20 O P Re S3 -","- C100 H80 O4 P4 Re4 S12 -","4","1","","Ming Li; Arkady Ellern; James H. Espenson","Studies of C-S Bond Cleavage Reactions of Re(V) Dithiolates: Synthesis, Reactivity, and Mechanism","Journal of the American Chemical Society","2005","127","","10436","10447","10.1021/ja0519334","","","0.71073","MoKα","","0.0544","0.0405","","","0.1092","0.1157","","","","","","1.09","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111808","11.6523","0.0018","19.856","0.003","15.699","0.003","90","","102.833","0.005","90","","3541.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 O Si2 Zr -","- C37 H54 O Si2 Zr -","- C148 H216 O4 Si8 Zr4 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2005","127","","10291","10304","10.1021/ja052033q","","","0.71073","MoKα","","0.1018","0.0663","","","0.1576","0.1738","","","","","","1.059","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111809","20.7926","0.0017","25.896","0.002","21.9514","0.0012","90","","106.506","0.003","90","","11332.5","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H168 O6 Si12 Zr3 -","- C102 H168 O6 Si12 Zr3 -","- C408 H672 O24 Si48 Zr12 -","4","1","","Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2005","127","","10291","10304","10.1021/ja052033q","","","0.71073","MoKα","","0.0728","0.0363","","","0.0714","0.0812","","","","","","0.961","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111810","12.7495","0.001","12.9326","0.001","17.4158","0.0013","87.677","0.002","70.785","0.002","64.14","0.002","2422.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 O Si4 Zr -","- C54 H62 O Si4 Zr -","- C108 H124 O2 Si8 Zr2 -","2","1","","Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik","Ligand-Induced Haptotropic Rearrangements in Bis(indenyl)zirconium Sandwich Complexes","Journal of the American Chemical Society","2005","127","","10291","10304","10.1021/ja052033q","","","0.71073","MoKα","","0.0609","0.0402","","","0.0919","0.1002","","","","","","1.034","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111811","8.5349","0.0016","12.272","0.002","12.397","0.002","77.006","0.004","84.234","0.004","75.749","0.004","1224.9","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H17 D12 F3 O8 Pd S3 -","- C17 H29 F3 O8 Pd S3 -","- C34 H58 F6 O16 Pd2 S6 -","2","1","","Daisuke Tanaka; Stuart P. Romeril; Andrew G. Myers","On the Mechanism of the Palladium(II)-Catalyzed Decarboxylative Olefination of Arene Carboxylic Acids. Crystallographic Characterization of Non-Phosphine Palladium(II) Intermediates and Observation of Their Stepwise Transformation in Heck-like Processes","Journal of the American Chemical Society","2005","127","","10323","10333","10.1021/ja052099l","","x-ray","0.71073","MoKα","","0.0682","0.0417","","","0.0664","0.0724","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111812","9.3554","0.0012","14.1121","0.0019","16.823","0.002","90","","90","","90","","2221","0.5","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 D6 F3 O6 Pd S -","- C20 H21 D6 F3 O6 Pd S -","- C80 H84 D24 F12 O24 Pd4 S4 -","4","1","","Daisuke Tanaka; Stuart P. Romeril; Andrew G. Myers","On the Mechanism of the Palladium(II)-Catalyzed Decarboxylative Olefination of Arene Carboxylic Acids. Crystallographic Characterization of Non-Phosphine Palladium(II) Intermediates and Observation of Their Stepwise Transformation in Heck-like Processes","Journal of the American Chemical Society","2005","127","","10323","10333","10.1021/ja052099l","","","0.71073","MoKα","","0.0351","0.033","","","0.0689","0.0697","","","","","","1.188","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111813","8.759","0.0012","15.009","0.002","42.798","0.006","90","","90","","90","","5626.4","1.3","223","2","223","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C30 H36 O2 S2 -","- C30 H36 O2 S2 -","- C240 H288 O16 S16 -","8","1","","Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai","Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers","Journal of the American Chemical Society","2005","127","","10350","10355","10.1021/ja0521730","","","0.71073","MoKα","","0.1008","0.0836","","","0.1995","0.2071","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111814","17.3267","0.0013","7.2617","0.0005","21.9512","0.0016","90","","90","","90","","2761.9","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","1","","Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai","Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers","Journal of the American Chemical Society","2005","127","","10350","10355","10.1021/ja0521730","","","0.71073","MoKα","","0.0777","0.048","","","0.101","0.1103","","","","","","0.905","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111815","17.845","0.002","23.754","0.007","18.033","0.002","90","","96.426","0.004","90","","7596","3","150","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C72 H90 Li4 N6 O24 Ti2 -","- C72 H90 Li4 N6 O24 Ti2 -","- C288 H360 Li16 N24 O96 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","1.54179","CuKα","","0.13","0.13","","0.198","","0.198","","","1.011","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111816","16.943","0.001","23.962","0.001","14.483","0.001","90","","97.16","0.01","90","","5834.1","0.6","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Li4 N4 O22 Ti2 -","- C54 H52 Li4 N4 O22 Ti2 -","- C216 H208 Li16 N16 O88 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","0.71073","MoKα","","0.1352","0.0951","","","0.259","0.2901","","","","","","1.023","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111817","14.53","0.001","21.692","0.001","22.298","0.001","90","","108.38","0.01","90","","6669.5","0.7","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66 Li4 N4 O29 Ti2 -","- C60 H66 Li4 N4 O29 Ti2 -","- C240 H264 Li16 N16 O116 Ti8 -","4","1","","Markus Albrecht; Sebastian Mirtschin; Marita de Groot; Ingo Janser; Jan Runsink; Gerhard Raabe; Michael Kogej; Christoph A. Schalley; Roland Fröhlich","Hierarchical Assembly of Helicate-Type Dinuclear Titanium(IV) Complexes","Journal of the American Chemical Society","2005","127","","10371","10387","10.1021/ja052326j","","","0.71073","MoKα","","0.1379","0.0872","","","0.2291","0.2629","","","","","","1.024","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111818","13.652","0.003","13.717","0.003","14.166","0.003","90","","106.89","0.03","90","","2538.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Al2 N4 O2 -","- C58 H82 Al2 N4 O2 -","- C116 H164 Al4 N8 O4 -","2","0.5","","Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power","The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide","Journal of the American Chemical Society","2005","127","","10170","10171","10.1021/ja052400y","","","1.54178","CuKα","","0.0364","0.0328","","","0.0851","0.0878","","","","","","1.049","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111819","21.56","0.004","10.457","0.002","40.816","0.008","90","","97.26","0.03","90","","9128","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54.14 H67.65 Al N3 -","- C54.142 H67.648 Al N3 -","- C433.136 H541.184 Al8 N24 -","8","1","","Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power","The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide","Journal of the American Chemical Society","2005","127","","10170","10171","10.1021/ja052400y","","","1.54178","CuKα","","0.0463","0.0369","","","0.0859","0.091","","","","","","1.023","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111820","22.605","0.004","12.583","0.002","19.132","0.003","90","","102.68","0.02","90","","5309.2","1.6","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C58 H82 Al2 N4 O2 -","- C58 H82 Al2 N4 O2 -","- C232 H328 Al8 N16 O8 -","4","1","","Hongping Zhu; Jianfang Chai; Vojtech Jancik; Herbert W. Roesky; William A. Merrill; Philip P. Power","The Selective Preparation of an Aluminum Oxide and Its Isomeric C-H-Activated Hydroxide","Journal of the American Chemical Society","2005","127","","10170","10171","10.1021/ja052400y","","","1.54178","CuKα","","0.0421","0.0344","","","0.085","0.0895","","","","","","1.025","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111821","10.5012","0.001","13.497","0.0013","22.406","0.002","74.515","0.002","81.705","0.002","87.295","0.002","3028.3","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Zirconocenechloridedisilenide","","","- C61 H93 Cl Si2 Zr -","- C61 H93 Cl Si2 Zr -","- C122 H186 Cl2 Si4 Zr2 -","2","1","","Thi-loan Nguyen; David Scheschkewitz","Activation of a SiSi Bond by η1-Coordination to a Transition Metal","Journal of the American Chemical Society","2005","127","","10174","10175","10.1021/ja052593p","","","0.71073","MoKα","","0.0491","0.0404","","","0.1116","0.1176","","","","","","1.058","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111822","10.7783","0.0007","13.579","0.0009","19.7407","0.0013","87.651","0.001","78.438","0.001","71.897","0.001","2689.8","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Zirconocenechloridesilanide","","","- C55 H79 Cl Si2 Zr -","- C55 H79 Cl Si2 Zr -","- C110 H158 Cl2 Si4 Zr2 -","2","1","","Thi-loan Nguyen; David Scheschkewitz","Activation of a SiSi Bond by η1-Coordination to a Transition Metal","Journal of the American Chemical Society","2005","127","","10174","10175","10.1021/ja052593p","","","0.71073","MoKα","","0.0396","0.0361","","","0.0956","0.0988","","","","","","1.043","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111823","9.601","0.002","21.07","0.002","9.898","0.002","90","0.02","90.86","0.02","90","0.02","2002.1","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C88 H104 O16 S4 -","4","2","","Gyochang Keum; Cheol Hee Hwang; Soon Bang Kang; Youseung Kim; Eun Lee","Stereoselective Syntheses of Rolliniastatin 1, Rollimembrin, and Membranacin","Journal of the American Chemical Society","2005","127","","10396","10399","10.1021/ja0526867","","","0.71073","MoKα","","0.0411","0.0403","","","0.1046","0.1054","","","","","","1.051","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111824","9.3921","0.0002","15.6274","0.0003","13.4697","0.0003","90","","100.947","0.001","90","","1941.03","0.07","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H26.727 B10 Cl0.566 I0.707 -","- C10 H26.727 B10 Cl0.566 I0.707 -","- C40 H106.908 B40 Cl2.264 I2.828 -","4","1","","Francesc Teixidor; Gemma Barberà; Albert Vaca; Raikko Kivekäs; Reijo Sillanpää; Josep Oliva; Clara Viñas","Are Methyl Groups Electron-Donating or Electron-Withdrawing in Boron Clusters? Permethylation of o-Carborane","Journal of the American Chemical Society","2005","127","","10158","10159","10.1021/ja052981r","","x-ray","0.71073","Mokα","","0.0306","0.0277","","","0.0661","0.0678","","","","","","1.061","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111825","12.2603","0.0009","13.0163","0.0011","25.6615","0.0018","90","","92.173","0.004","90","","4092.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 B2 Br0.1 Cl2.9 N3 Rh -","- C43 H57 B2 Br0.1 Cl2.9 N3 Rh -","- C172 H228 B8 Br0.4 Cl11.6 N12 Rh4 -","4","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0387","0.0299","","","0.0739","0.0783","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111826","11.944","0.0006","17.842","0.0009","19.7133","0.0009","103.595","0.001","95.237","0.001","106.397","0.001","3860.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H94 B4 Br2 Cl7 N6 -","- C71.5 H94 B4 Br2 Cl7 N6 -","- C143 H188 B8 Br4 Cl14 N12 -","2","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0911","0.0519","","","0.1093","0.119","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111827","13.95","0.0013","19.151","0.0018","22.413","0.002","90","","90","","90","","5987.8","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H43 B2 N3 -","- C34 H43 B2 N3 -","- C272 H344 B16 N24 -","8","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0814","0.0482","","","0.1149","0.1324","","","","","","1.021","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111828","15.825","0.003","8.8911","0.0017","17.766","0.003","90","","99.089","0.004","90","","2468.3","0.8","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 -","- C18 H16 -","- C144 H128 -","8","2","","Takayuki Uto; Tohru Nishinaga; Akira Matsuura; Ryota Inoue; Koichi Komatsu","A Naphthalene with Unusual Bond Alternation Made by Annelation with Bicyclo[2.1.1]hexene Units: Aromaticity and Reactivity","Journal of the American Chemical Society","2005","127","","10162","10163","10.1021/ja053769q","","","0.71073","MoKα","","0.1044","0.0458","","","0.0623","0.0676","","","","","","1.002","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111829","8.537","0.002","8.775","0.002","9.099","0.002","90","","102.517","0.004","90","","665.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Takayuki Uto; Tohru Nishinaga; Akira Matsuura; Ryota Inoue; Koichi Komatsu","A Naphthalene with Unusual Bond Alternation Made by Annelation with Bicyclo[2.1.1]hexene Units: Aromaticity and Reactivity","Journal of the American Chemical Society","2005","127","","10162","10163","10.1021/ja053769q","","","0.71073","MoKα","","0.0394","0.0352","","","0.0823","0.0844","","","","","","1","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111830","15.972","0.002","19.266","0.002","30.169","0.002","90","","91.073","0.003","90","","9281.9","1.6","153.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 Cr6 K2 O75 Si W12 -","- C36 Cr6 K2 O75 Si W12 -","- C144 Cr24 K8 O300 Si4 W48 -","4","0.5","","Ryosuke Kawamoto; Sayaka Uchida; Noritaka Mizuno","Amphiphilic Guest Sorption of K2[Cr3O(OOCC2H5)6(H2O)3]2[α-SiW12O40] Ionic Crystal","Journal of the American Chemical Society","2005","127","","10560","10567","10.1021/ja042333s","","","0.7107","MoKα","","","0.059","","","","0.077","","","","","","1.176","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111831","5.259","0.002","11.954","0.005","11.73","0.004","90","","95.486","0.008","90","","734","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-4-Amino-cyclohexanol","trans-4-Amino-cyclohexanol","","- C6 H13 N O -","- C6 H13 N O -","- C24 H52 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.1289","0.066","","","0.143","0.1697","","","","","","0.951","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111832","21.609","0.0007","7.4822","0.0002","8.2703","0.0003","90","","90","","90","","1337.17","0.07","120","2","120","2","","","","","","","","4","I b a 2","I 2 -2c","45","2A3MP","2-Amino-3-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.035","0.033","","","0.0864","0.0882","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111833","7.5058","0.0015","7.7076","0.0015","22.691","0.005","90","","90","","90","","1312.7","0.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2A4MP","2-Amino-4-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0419","0.039","","","0.108","0.1112","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111834","8.786","0.0005","9.9708","0.0005","7.87","0.0004","90","","113.966","0.002","90","","630","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2A5MP","2-Amino-5-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0497","0.041","","","0.1086","0.1162","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111835","8.0069","0.0002","8.0094","0.0002","20.3862","0.0005","83.886","0.001","84.719","0.001","89.12","0.001","1294.4","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2A6MP","2-Amino-6-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","4","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0428","0.0375","","","0.1028","0.108","","","","","","1.036","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111836","6.6782","0.0006","8.1351","0.0007","11.9301","0.001","90","","101.661","0.002","90","","634.76","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3A2MP","3-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0443","0.0384","","","0.1116","0.1164","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111837","7.5998","0.0002","18.386","0.0005","9.9035","0.0003","90","","110.172","0.001","90","","1298.93","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3A4MP","3-Amino-4-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","2","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.05","0.0355","","","0.0925","0.0978","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111838","6.0239","0.0001","15.2605","0.0003","7.4566","0.0002","90","","107.557","0.001","90","","653.54","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3A5MP","3-Amino-5-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0391","0.0353","","","0.0976","0.1025","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111839","5.599","0.001","7.971","0.002","7.7","0.002","90","","110.02","0.01","90","","322.88","0.13","105","2","105","2","","","","","","","","4","P 1 n 1","P -2yac","7","5A2MP","5-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C14 H18 N2 O2 -","2","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0426","0.0393","","","0.0964","0.0995","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111840","4.4894","0.0001","10.4759","0.0003","14.33","0.0004","90","","93.174","0.001","90","","672.91","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4A2MP","4-Amino-2-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0454","0.0393","","","0.1121","0.1181","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111841","4.6823","0.0002","11.5155","0.0005","12.0314","0.0005","90","","96.884","0.002","90","","644.04","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4A3MP","4-Amino-3-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0494","0.0387","","","0.0912","0.0969","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111842","12.415","0.002","4.1719","0.0007","15.511","0.003","90","","108.804","0.003","90","","760.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8A2HNAP","8-Amino-2-naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0691","0.0564","","","0.1442","0.1533","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111843","10.2142","0.0006","11.3561","0.0007","23.3692","0.0015","90","","93.139","0.001","90","","2706.6","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 B N9 O2 P W -","- C22 H35 B N9 O2 P W -","- C88 H140 B4 N36 O8 P4 W4 -","4","1","","Peter M. Graham; David A. Delafuente; Weijun Liu; William H. Myers; Michal Sabat; W. D. Harman","Facile Diels-Alder Reactions with Pyridines Promoted by Tungsten","Journal of the American Chemical Society","2005","127","","10568","10572","10.1021/ja050143r","","","0.71073","MoKα","","0.0579","0.0406","","","0.0841","0.0892","","","","","","0.966","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111844","8.4866","0.0007","15.1344","0.0012","10.3639","0.0009","90","","94.808","0.002","90","","1326.45","0.19","153","2","153","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H32 B N10 O P W -","- C22 H32 B N10 O P W -","- C44 H64 B2 N20 O2 P2 W2 -","2","1","","Peter M. Graham; David A. Delafuente; Weijun Liu; William H. Myers; Michal Sabat; W. D. Harman","Facile Diels-Alder Reactions with Pyridines Promoted by Tungsten","Journal of the American Chemical Society","2005","127","","10568","10572","10.1021/ja050143r","","","0.71073","MoKα","","0.0725","0.0471","","","0.0652","0.0695","","","","","","0.733","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111845","12.3731","0.0015","10.381","0.0013","16.608","0.002","90","","93.254","0.002","90","","2129.8","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H54 N4 O4 -","- C48 H54 N4 O4 -","- C96 H108 N8 O8 -","2","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.1597","0.0828","","","0.1979","0.2369","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111846","15.742","0.002","16.419","0.002","23.119","0.003","90","","90","","90","","5975.5","1.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65 H66 Cl3 N7 Ni O8 -","- C65 H66 Cl3 N7 Ni O8 -","- C260 H264 Cl12 N28 Ni4 O32 -","4","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.0721","0.067","","","0.1811","0.1899","","","","","","1.06","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111847","15.745","0.003","15.865","0.003","24.245","0.005","90","","90","","90","","6056","2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H64 Cl6 Cu N6 O8 -","- C64 H64 Cl6 Cu N6 O8 -","- C256 H256 Cl24 Cu4 N24 O32 -","4","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.075","0.0595","","","0.1318","0.1418","","","","","","1.024","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111848","8.3516","0.0019","30.307","0.007","9.825","0.002","90","","92.697","0.004","90","","2484.1","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C132 H104 N8 O8 -","4","1","","Christoph Lambert; Jürgen Schelter; Torsten Fiebig; Daniela Mank; Anton Trifonov","Photoinduced Charge Transfer Processes along Triarylamine Redox Cascades","Journal of the American Chemical Society","2005","127","","10600","10610","10.1021/ja0511570","","","0.71073","MoKα","","0.0399","0.0366","","","0.0961","0.0984","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111849","15.721","0.005","16.515","0.006","21.159","0.007","84.86","0.03","83.56","0.03","65.71","0.03","4970","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 B2 Fe Li2 N4 O4 -","- C28 H46 B2 Fe Li2 N4 O4 -","- C168 H276 B12 Fe6 Li12 N24 O24 -","6","3","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.3584","0.1207","","","0.264","0.3683","","","","","","0.84","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111850","15.584","0.003","32.374","0.004","15.4767","0.0016","90","","90","","90","","7808","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H56 B2 Fe N4 Na2 O6 -","- C32 H56 B2 Fe N4 Na2 O6 -","- C256 H448 B16 Fe8 N32 Na16 O48 -","8","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1884","0.0737","","","0.1491","0.1917","","","","","","0.84","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111851","9.8339","0.0016","13.083","0.002","16.826","0.003","86.743","0.015","75.024","0.013","71.342","0.013","1980.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H56 B2 Fe K2 N4 O6 -","- C32 H56 B2 Fe K2 N4 O6 -","- C64 H112 B4 Fe2 K4 N8 O12 -","2","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1072","0.0529","","","0.1107","0.1263","","","","","","0.829","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111852","9.8596","0.0018","13.136","0.003","17.292","0.004","85.95","0.018","75.063","0.016","69.938","0.015","2032.2","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H56 B2 Fe N4 O6 Rb2 -","- C32 H56 B2 Fe N4 O6 Rb2 -","- C64 H112 B4 Fe2 N8 O12 Rb4 -","2","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1571","0.1057","","","0.2712","0.3005","","","","","","1.084","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111853","9.8708","0.0012","24.313","0.003","17.594","0.002","90","","103.18","0.01","90","","4111.1","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 B2 Cs2 Fe N4 O6 -","- C32 H56 B2 Cs2 Fe N4 O6 -","- C128 H224 B8 Cs8 Fe4 N16 O24 -","4","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.0692","0.0345","","","0.0582","0.0638","","","","","","0.815","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111854","20.637","0.0016","11.5631","0.0007","16.2548","0.001","90","","90","","90","","3878.8","0.5","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C36 H58 B2 Fe N4 Na2 O4 -","- C36 H58 B2 Fe N4 Na2 O4 -","- C144 H232 B8 Fe4 N16 Na8 O16 -","4","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.0674","0.0484","","","0.1333","0.1417","","","","","","1.031","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111855","11.0876","0.0019","14.624","0.003","12.7422","0.0018","90","","99.159","0.013","90","","2039.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B2 Fe K2 N4 O4 -","- C36 H58 B2 Fe K2 N4 O4 -","- C72 H116 B4 Fe2 K4 N8 O8 -","2","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1495","0.0524","","","0.0738","0.0886","","","","","","0.797","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111856","11.309","0.003","15.248","0.005","12.259","0.004","90","","96.13","0.03","90","","2101.9","1.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 B2 Fe N4 O4 Rb2 -","- C36 H58 B2 Fe N4 O4 Rb2 -","- C72 H116 B4 Fe2 N8 O8 Rb4 -","2","0.5","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.2266","0.0978","","","0.1932","0.2475","","","","","","0.965","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111857","6.67","0.01","10.45","0.03","14.72","0.02","102.1","0.2","94","0.3","105.3","0.1","959","4","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 B Br Cl F8 -","- C17 B Br Cl F8 -","- C34 B2 Br2 Cl2 F16 -","2","1","","Masahito Ochiai; Yoshio Nishi; Takeshi Mori; Norihiro Tada; Takashi Suefuji; Hermann J. Frohn","Synthesis and Characterization of β-Haloalkenyl-λ3-bromanes: Stereoselective Markovnikov Addition of Difluoro(aryl)-λ3-bromane to Terminal Acetylenes","Journal of the American Chemical Society","2005","127","","10460","10461","10.1021/ja051690f","","","0.7107","MoKα","","","0.055","","","","0.121","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111858","11.171","0.004","25.098","0.009","3.8852","0.0013","90","","90","","90","","1089.3","0.7","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","H-T5-H","","","- C12 H4 S5 -","- C12 H4 S5 -","- C48 H16 S20 -","4","0.5","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.1344","0.1033","","","0.223","0.2358","","","","","","1.142","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111859","16.2367","0.0015","16.2367","0.0015","13.041","0.0017","90","","90","","90","","3438","0.6","153","2","153","2","","","","","","","","4","P -4 21 c","P -4 2n","114","TIPS-T5-TIPS","","","- C30 H44 S5 Si2 -","- C30 H44 S5 Si2 -","- C120 H176 S20 Si8 -","4","0.5","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.0589","0.0483","","","0.1092","0.119","","","","","","1.037","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111860","17.9934","0.0016","29.79","0.003","13.4276","0.0012","90","","90","","90","","7197.5","1.2","153","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","TIPS-T7-TIPS","","","- C34 H44 S7 Si2 -","- C34 H44 S7 Si2 -","- C272 H352 S56 Si16 -","8","1","","Xinnan Zhang; Adrien P. Côté; Adam J. Matzger","Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings","Journal of the American Chemical Society","2005","127","","10502","10503","10.1021/ja053326m","","","0.71073","MoKα","","0.0529","0.0366","","","0.0823","0.0953","","","","","","1.01","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111861","7.5263","0.0011","12.0867","0.0011","16.312","0.002","90","","90","","90","","1483.9","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S2 -","- C14 H17 N O3 S2 -","- C56 H68 N4 O12 S8 -","4","1","","Evans, David A.; Thomson, Regan J.","Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","30","10506","10507","10.1021/ja053386s","","","0.71073","MoKα","","0.0287","0.0282","","","0.0656","0.0659","","","","","","1.189","","","","has coordinates","219220","2020-10-21","18:00:00",""
"4111862","12.642","0.002","11.274","0.002","13.052","0.004","90","","104.26","0.02","90","","1802.9","0.7","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H51 N3 O4 Si -","- C35 H37 N3 O4 Si -","- C70 H74 N6 O8 Si2 -","2","1","","Christiane Marti; Erick M. Carreira","Total Synthesis of (-)-Spirotryprostatin B: Synthesis and Related Studies","Journal of the American Chemical Society","2005","127","","11505","11515","10.1021/ja0518880","","","1.5418","CuKα","","0.0598","0.0564","","","0.1601","0.1683","","","","","","1.055","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111863","8.935","0.001","13.87","0.002","25.228","0.007","90","","90","","90","","3126.5","1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Cl3 N3 O6 -","- C28 H36 Cl3 N3 O6 -","- C112 H144 Cl12 N12 O24 -","4","1","","Christiane Marti; Erick M. Carreira","Total Synthesis of (-)-Spirotryprostatin B: Synthesis and Related Studies","Journal of the American Chemical Society","2005","127","","11505","11515","10.1021/ja0518880","","","1.5418","CuKα","","0.0685","0.0608","","","0.1778","0.1902","","","","","","1.061","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111864","35.9775","0.0016","14.273","0.0006","11.9582","0.0005","90","","90","","90","","6140.6","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4(Et4N+)8[C(NH2)3+]3[(CO3)2-]3[(C2O4)2-]2(H2O)","","- C44 H124 N16 O28 -","- C29 H50 N26 O19 -","- C116 H200 N104 O76 -","4","0.5","","Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak","Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks","Journal of the American Chemical Society","2005","127","","11536","11537","10.1021/ja050221a","","","0.71073","MoKα","","0.141","0.1013","","","0.2789","0.2935","","","","","","1.939","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111865","12.0977","0.0009","20.9279","0.0015","14.5969","0.001","90","","90","","90","","3695.6","0.5","123","","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2(Et4N+)[C(NH2)3+][1,3,5-C6H3(COO-)3]6(H2O)","","- C26 H60 N5 O12 -","- C26 H60 N5 O12 -","- C104 H240 N20 O48 -","4","0.5","","Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak","Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks","Journal of the American Chemical Society","2005","127","","11536","11537","10.1021/ja050221a","","","0.71073","MoKα","","0.0543","0.0465","","","0.1257","0.1316","","","","","","1.069","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111866","7.6184","0.0006","9.5951","0.0007","17.0181","0.0009","90","","90","","90","","1244.01","0.15","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C9 H8 -","- C9 H8 -","- C72 H64 -","8","1","","Emilio Bustelo; Carine Guérot; Alain Hercouet; Bertrand Carboni; Loïc Toupet; Pierre H. Dixneuf","An Opened Route to 1,3-Dimethylenecyclobutanes via Sequential Ruthenium-Catalyzed [2 + 2] Cycloaddition of Allenyl Boronate and Palladium Suzuki Coupling","Journal of the American Chemical Society","2005","127","","11582","11583","10.1021/ja051930r","","","0.71069","MoKα","","0.1106","0.0671","","","0.1599","0.1953","","","","","","1.071","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111867","14.7776","0.0016","14.7849","0.0015","15.1131","0.0017","91.286","0.013","118.886","0.011","118.21","0.011","2409.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-CONH2)6 (RE6Se8(CN)6)","","","- C60 H22 N12 O6 Re6 S36 Se8 -","- C60 H22 N12 O6 Re6 S36 Se8 -","- C60 H22 N12 O6 Re6 S36 Se8 -","1","0.5","","Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy","(EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization","Journal of the American Chemical Society","2005","127","","11785","11797","10.1021/ja0523385","","","0.71073","MoKα","","0.1295","0.0951","","","0.2425","0.2616","","","","","","0.974","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111868","15.0192","0.0017","15.0192","0.0017","15.0192","0.0017","61.465","0.017","61.465","0.017","61.465","0.017","2474.5","0.7","293","2","293","2","","","","","","","","7","R -3 :R","-P 3*","148","(EDT-TTF-CONH2)6 (RE6Se8(CN)6)","","","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","- C60 H18 N12 O6 Re6 S36 Se8 -","1","0.166667","","Stéphane A. Baudron; Patrick Batail; Claude Coulon; Rodolphe Clérac; Enric Canadell; Vladimir Laukhin; Roberto Melzi; Pawel Wzietek; Denis Jérome; Pascale Auban-Senzier; Sylvain Ravy","(EDT-TTF-CONH2)6[Re6Se8(CN)6], a Metallic Kagome-Type Organic-Inorganic Hybrid Compound: Electronic Instability, Molecular Motion, and Charge Localization","Journal of the American Chemical Society","2005","127","","11785","11797","10.1021/ja0523385","","","0.71073","MoKα","","0.0407","0.029","","","0.0661","0.0695","","","","","","0.994","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111869","21.715","0.006","19.196","0.006","28.62","0.007","90","","94.851","0.017","90","","11887","6","157","2","157","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C216 H156 F24 N20 O28 S8 Zn4 -","- C240 H92 F6 N20 O40 S4.8 Zn4 -","- C480 H184 F12 N40 O80 S9.6 Zn8 -","2","0.5","","Michael Schmittel; Venkateshwarlu Kalsani; Ravuri S. K. Kishore; Helmut Cölfen; Jan W. Bats","Dynamic and Fluorescent Nanoscale Phenanthroline/Terpyridine Zinc(II) Ladders. Self-Recognition in Unlike Ligand/Like Metal Coordination Scenarios","Journal of the American Chemical Society","2005","127","","11544","11545","10.1021/ja0525096","","","0.71073","MoKα","","0.3733","0.2315","","","0.3967","0.4456","","","","","","1.638","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111870","9.9387","0.0003","8.7443","0.0002","12.2164","0.0003","90","","96.192","0.003","90","","1055.5","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H31 F6 Fe N7 O2 P -","- C15 H31 F6 Fe N7 O2 P -","- C30 H62 F12 Fe2 N14 O4 P2 -","2","0.5","","John F. Berry; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Octahedral Non-Heme Non-Oxo Fe(IV) Species Stabilized by a Redox-Innocent N-Methylated Cyclam-Acetate Ligand","Journal of the American Chemical Society","2005","127","","11550","11551","10.1021/ja052673t","","","0.71073","MoKα","","0.0435","0.0417","","","0.0942","0.095","","","","","","1.168","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111871","15.7641","0.0008","15.7641","0.0008","35.775","0.002","90","","90","","120","","7699.3","0.7","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C145 H151 Cl3 I6 O36 Sn6 -","- C145 H139 Cl3 I6 O36 Sn6 -","- C290 H278 Cl6 I12 O72 Sn12 -","2","0.166667","","Vadapalli Chandrasekhar; Pakkirisamy Thilagar; James F. Bickley; Alexander Steiner","Alternating Hydrophilic and Hydrophobic Pockets in the Channel Structures of Organostannoxane Prismanes: Preferential Confinement of Guest Molecules","Journal of the American Chemical Society","2005","127","","11556","11557","10.1021/ja052776b","","","0.71073","MoKα","","0.039","0.0337","","","0.0793","0.0819","","","","","","1.071","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111872","16.387","0.003","17.701","0.003","22.903","0.004","86.44","0.02","88.2","0.02","64.628","0.017","5991","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C109 H112 Cl3 O27 Sn6 -","- C109 H109 Cl3 O27 Sn6 -","- C218 H218 Cl6 O54 Sn12 -","2","1","","Vadapalli Chandrasekhar; Pakkirisamy Thilagar; James F. Bickley; Alexander Steiner","Alternating Hydrophilic and Hydrophobic Pockets in the Channel Structures of Organostannoxane Prismanes: Preferential Confinement of Guest Molecules","Journal of the American Chemical Society","2005","127","","11556","11557","10.1021/ja052776b","","","0.71073","MoKα","","0.0897","0.0487","","","0.1197","0.1314","","","","","","0.865","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111873","10.256","0.003","11.65","0.004","14.419","0.005","108.008","0.005","100.887","0.006","100.453","0.006","1555","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H45 Fe K N7 O3 -","- C26 H45 Fe K N7 O3 -","- C52 H90 Fe2 K2 N14 O6 -","2","1","","Robie L. Lucas; Douglas R. Powell; A. S. Borovik","Preparation of Iron Amido Complexes via Putative Fe(IV) Imido Intermediates","Journal of the American Chemical Society","2005","127","","11596","11597","10.1021/ja052952g","","","0.71073","MoKα","","0.1066","0.0642","","","0.1672","0.1904","","","","","","1.041","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111874","14.218","0.0002","25.1883","0.0004","22.2129","0.0004","90","","91.9957","0.0007","90","","7950.2","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H65 Au2 Cl2 O11.5 Sb6 -","- C74 H65 Au2 Cl2 O11.5 Sb6 -","- C296 H260 Au8 Cl8 O46 Sb24 -","4","0.5","","Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Cristian Silvestru","Phosphorescent Excited State of [Au2{(Ph2Sb)2O}3]2+: Jahn-Teller Distortion at Only One Gold(I) Center","Journal of the American Chemical Society","2005","127","","11564","11565","10.1021/ja053237+","","","0.71073","MoKα","","0.0693","0.0391","","","0.0806","0.0909","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111875","9.2149","0.0003","12.9485","0.0005","14.3796","0.0006","107.645","0.002","93.624","0.002","95.851","0.002","1618.49","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Co N2 O2 -","- C36 H46 Co N2 O2 -","- C72 H92 Co2 N4 O4 -","2","1","","Kathryn L. Peretti; Hiroharu Ajiro; Claire T. Cohen; Emil B. Lobkovsky; Geoffrey W. Coates","A Highly Active, Isospecific Cobalt Catalyst for Propylene Oxide Polymerization","Journal of the American Chemical Society","2005","127","","11566","11567","10.1021/ja053451y","","","0.71073","MoKα","","0.0418","0.0326","","","0.0945","0.0994","","","","","","1.036","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111876","15.765","0.012","16.535","0.01","26.9","0.02","74.22","0.03","82.32","0.03","75.39","0.03","6514","8","150","2","150","2","","","","","","","synthesis","4","P 1","P 1","1","Boc-[(R,R)-Ab5,6=c]6-OEt","Ethyl 8-{{8-{{8-{{8-{{8-{[(1R,6R)-8-(tert-Butoxycarbonylamino) bicyclo[4.3.0]non-3-en-8-yl]carbonylamino}-(1R,6R)-bicyclo[4.3.0]non- 3-en-8-yl}carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}- carbonylamino}-(1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-yl}carbonylamino}- (1R,6R)-bicyclo[4.3.0]non-3-en-8-carboxylate","","- C68 H95 N6 O9.5 -","- C68 H95 N6 O9.5 -","- C272 H380 N24 O38 -","4","4","","Masakazu Tanaka; Kosuke Anan; Yosuke Demizu; Masaaki Kurihara; Mitsunobu Doi; Hiroshi Suemune","Side-Chain Chiral Centers of Amino Acid and Helical-Screw Handedness of Its Peptides","Journal of the American Chemical Society","2005","127","","11570","11571","10.1021/ja053842c","","","0.71075","MoKα","","0.1037","0.0589","","","0.1373","0.1552","","","","","","0.885","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111877","13.601","0.002","8.96","0.002","12.787","0.003","90","","128.16","0.01","90","","1225.3","0.5","298.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0541","","","","0.2172","","","","","","1.797","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111878","31.097","0.008","8.381","0.003","7.193","0.002","90","","92.05","0.02","90","","1873.5","1","291.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Br N O5 -","- C20 H18 Br N O5 -","- C80 H72 Br4 N4 O20 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.04","","","","0.1762","","","","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111879","13.389","0.002","20.618","0.004","9.686","0.002","90","","90","","90","","2673.9","0.9","297.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C104 H144 N16 O24 -","8","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0448","","","","0.1658","","","","","","1.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111880","17.896","0.003","10.093","0.001","16.581","0.004","90","","152.84","0.01","90","","1367.1","0.6","291.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0437","","","","0.137","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111881","16.783","0.003","10.627","0.002","6.604","0.001","90","","100.83","0.01","90","","1156.9","0.3","291.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0416","","","","0.1401","","","","","","1.827","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111882","9.5286","0.0019","10.633","0.002","17.145","0.003","96.04","0.03","93.62","0.03","105.2","0.03","1659.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 N P3 Rh -","- C31 H55 N P3 Rh -","- C62 H110 N2 P6 Rh2 -","2","1","","Pinjing Zhao; John F. Hartwig","β-Aryl Eliminations from Rh(I) Iminyl Complexes","Journal of the American Chemical Society","2005","127","","11618","11619","10.1021/ja054132+","","","0.71073","MoKα","","0.0471","0.0339","","","0.0812","0.0859","","","","","","1.03","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111883","14.6961","0.0006","12.7908","0.0005","12.4795","0.0004","90","","103.734","0.002","90","","2278.76","0.15","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 N O Ti -","- C25 H29 Cl2 N O Ti -","- C100 H116 Cl8 N4 O4 Ti4 -","4","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.103","0.0482","","","0.089","0.0999","","","","","","0.908","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111884","19.9954","0.0007","13.9007","0.0006","19.1105","0.0009","90","","105.406","0.002","90","","5120.9","0.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H32 Cl5 N O Ti -","- C22.5 H32 Cl5 N O Ti -","- C180 H256 Cl40 N8 O8 Ti8 -","8","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.0917","0.075","","","0.1823","0.189","","","","","","1.135","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111885","13.3012","0.0006","12.9164","0.0006","12.5231","0.0005","90","","107.087","0.002","90","","2056.55","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 N O Ti -","- C22 H25 Cl2 N O Ti -","- C88 H100 Cl8 N4 O4 Ti4 -","4","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.1143","0.043","","","0.061","0.0711","","","","","","0.794","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111886","12.456","0.0003","11.256","0.0003","16.0987","0.0004","90","","95.488","0.002","90","","2246.77","0.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl4 N O3 Ti -","- C19 H25 Cl4 N O3 Ti -","- C76 H100 Cl16 N4 O12 Ti4 -","4","1","","Andreas Gansäuer; Dieter Franke; Thorsten Lauterbach; Martin Nieger","A Modular and Efficient Synthesis of Functional Titanocenes","Journal of the American Chemical Society","2005","127","","11622","11623","10.1021/ja054185r","","","0.71073","MoKα","","0.0473","0.0307","","","0.0658","0.07","","","","","","0.958","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111887","16.642","0.001","16.6424","","7.724","0.002","90","","90","","120","","1852.7","0.5","296.2","","","","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C21 H12 -","- C21 H12 -","- C126 H72 -","6","0.333333","","Hidehiro Sakurai; Taro Daiko; Hiroyuki Sakane; Toru Amaya; Toshikazu Hirao","Structural Elucidation of Sumanene and Generation of Its Benzylic Anions","Journal of the American Chemical Society","2005","127","","11580","11581","10.1021/ja0518169","","","0.7107","MoKα","","","0.0698","","","","0.1241","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111888","48.344","0.0007","48.344","0.0007","48.344","0.0007","90","","90","","90","","112987","3","293","2","293","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","MOL-1CdS-TMA","","","- C304 H296 Cd54 N4 O4 S80 -","- C288 Cd54 O4 S80 -","- C2304 Cd432 O32 S640 -","8","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1561","0.0739","","","0.2362","0.2992","","","","","","1.048","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111889","48.248","0.003","48.248","0.003","48.248","0.003","90","","90","","90","","112315","12","293","2","293","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","MOL-1CdS-TPhP","","","- C384 H328 Cd54 O4 P4 S48 Se32 -","- C288 Cd54 O4 P9.6 S80 -","- C2304 Cd432 O32 P76.8 S640 -","8","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.2041","0.1034","","","0.3496","0.4042","","","","","","1.796","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111890","24.0656","0.0007","24.0656","0.0007","24.0656","0.0007","90","","90","","90","","13937.7","0.7","293","2","293","2","","","","","","","","7","P 2 3","P 2 2 3","195","MOL-1CdSeS-TPhP","","","- C384 H328 Cd54 O4 P4 S48 Se32 -","- C65.28 Cd54 O4 S48 Se32 -","- C65.28 Cd54 O4 S48 Se32 -","1","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.2104","0.0865","","","0.2974","0.4035","","","","","","1.23","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111891","37.475","0.008","26.482","0.006","34.504","0.007","90","","99.123","0.008","90","","33809","13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MOL-2CdS-TPhP","","","- C336 H280 Cd32 P4 S54 -","- C259 Cd32 P2 S54 -","- C1036 Cd128 P8 S216 -","4","1","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1532","0.1035","","","0.2895","0.3253","","","","","","1.03","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111892","19.172","0.003","19.172","0.003","45.758","0.009","90","","90","","120","","14566","4","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","MOL-3CdS","","","- C158 H138 Cd17 N4 S32 -","- C158 Cd17 N4 S32 -","- C474 Cd51 N12 S96 -","3","0.5","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1358","0.0931","","","0.2766","0.2982","","","","","","1.013","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111893","26.8981","0.0017","26.8981","0.0017","87.805","0.011","90","","90","","120","","55017","8","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C158 H138 Cd17 N4 S6 Se26 -","- C144 Cd17 S5 Se27 -","- C1728 Cd204 S60 Se324 -","12","0.333333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1399","0.0813","","","0.2079","0.2387","","","","","","0.987","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111894","11.9597","0.0011","17.5129","0.0015","12.4578","0.0011","90","","99.797","0.002","90","","2571.2","0.4","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","digermene","","","- C60 H76 Ge2 -","- C60 H76 Ge2 -","- C120 H152 Ge4 -","2","0.5","","Geoffrey H. Spikes; James C. Fettinger; Philip P. Power","Facile Activation of Dihydrogen by an Unsaturated Heavier Main Group Compound","Journal of the American Chemical Society","2005","127","","12232","12233","10.1021/ja053247a","","","0.71073","MoKα","","0.0324","0.0297","","","0.0783","0.0797","","","","","","1.062","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111895","16.3425","0.0011","45.579","0.003","21.2946","0.0014","90","","90","","90","","15861.8","1.8","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","digermane","","","- C60 H78 Ge2 -","- C60 H78 Ge2 -","- C720 H936 Ge24 -","12","3","","Geoffrey H. Spikes; James C. Fettinger; Philip P. Power","Facile Activation of Dihydrogen by an Unsaturated Heavier Main Group Compound","Journal of the American Chemical Society","2005","127","","12232","12233","10.1021/ja053247a","","","0.71073","MoKα","","0.0714","0.0622","","","0.1462","0.1501","","","","","","1.097","","","","has coordinates,has disorder","178889","2020-10-21","18:00:00",""
"4111896","10.9571","0.0001","10.3401","0.0002","18.1895","0.0003","90","","95.2323","0.001","90","","2052.24","0.06","200","","200","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Alan D. Payne; Anthony C. Willis; Michael S. Sherburn","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","127","","12188","12189","10.1021/ja053772+","","","0.71073","MoKα","","0.0548","0.0324","","0.0528","0.0382","0.0382","","","","","","1.0484","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111897","25.86","0.003","16.0807","0.0019","11.734","0.0014","90","","101.444","0.002","90","","4782.5","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N2 O2 Si0.5 -","- C30 H30 N2 O2 Si0.5 -","- C240 H240 N16 O16 Si4 -","8","1","","Julie A. Cissell; Thomas P. Vaid; Arnold L. Rheingold","An Antiaromatic Porphyrin Complex: Tetraphenylporphyrinato(silicon)(L)2 (L = THF or Pyridine)","Journal of the American Chemical Society","2005","127","","12212","12213","10.1021/ja0544713","","","0.71073","MoKα","","0.091","0.0658","","","0.1551","0.1693","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111898","9.908","0.001","20.608","0.003","15.713","0.002","90","","96.022","0.002","90","","3190.6","0.7","153.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 F9 O10 Pt2 S3 -","- C20 H27 Cl2 F9 O10 Pt2 S3 -","- C80 H108 Cl8 F36 O40 Pt8 S12 -","4","1","","Dmitry Karshtedt; Alexis T. Bell; T. Don Tilley","Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides and Weakly Basic Anilines","Journal of the American Chemical Society","2005","127","","12640","12646","10.1021/ja052836d","","","0.7107","MoKα","","0.0647","0.0402","","0.0518","","0.0454","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111899","12.35","0.0009","12.35","0.0009","29.748","0.003","90","","90","","90","","4537.2","0.7","170","2","170","2","","","","","","","","5","P 43","P 4cw","78","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H30 Br Cl6 S16 -","- C112 H120 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","127","","12450","12451","10.1021/ja053488i","","","0.71073","MoKα","","0.0558","0.0497","","","0.141","0.1478","","","","","","1.038","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111900","15.598","0.0011","15.598","0.0011","27.063","0.004","90","","90","","90","","6584.4","1.2","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","Tetrakis(N,N'-di(3,5-diclorophenyl)formamidinato) chloro diruthenium(II,III) 0.5water hexanes solvate","","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C58 H43 Cl17 N8 O0.5 Ru2 -","- C232 H172 Cl68 N32 O2 Ru8 -","4","0.25","","Wei-Zhong Chen; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Chris M. Ramsey; Tong Ren; Xiaoping Wang","Proof of Large Positive Zero-Field Splitting in a Ru25+ Paddlewheel","Journal of the American Chemical Society","2005","127","","12691","12696","10.1021/ja053615a","","","0.71073","MoKα","","0.0797","0.0706","","","0.1876","0.1959","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111901","13.363","0.003","24.152","0.005","8.2202","0.0016","90","","90","","90","","2653","1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H35 F3 Fe N6 O3 S2 -","- C18 H35 F3 Fe N6 O3 S2 -","- C72 H140 F12 Fe4 N24 O12 S8 -","4","1","","Chivukula V. Sastri; Mi Joo Park; Takehiro Ohta; Timothy A. Jackson; Audria Stubna; Mi Sook Seo; Jimin Lee; Jinheung Kim; Teizo Kitagawa; Eckard Münck; Lawrence Que; Wonwoo Nam","Axial Ligand Substituted Nonheme FeIVO Complexes: Observation of Near-UV LMCT Bands and FeO Raman Vibrations","Journal of the American Chemical Society","2005","127","","12494","12495","10.1021/ja0540573","","","0.71073","MoKα","","0.0788","0.0526","","","0.1395","0.1538","","","","","","1.01","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111902","15.722","0.007","17.056","0.004","17.622","0.007","79.99","0.02","64.28","0.01","72.74","0.02","4060","3","123.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C104 H47 F15 N6 -","- C104 H47 F15 N6 -","- C208 H94 F30 N12 -","2","1","","Tae Kyu Ahn; Jung Ho Kwon; Deok Yun Kim; Dae Won Cho; Dae Hong Jeong; Seong Keun Kim; Masaaki Suzuki; Soji Shimizu; Atsuhiro Osuka; Dongho Kim","Comparative Photophysics of [26]- and [28]Hexaphyrins(1.1.1.1.1.1): Large Two-Photon Absorption Cross Section of Aromatic [26]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2005","127","","12856","12861","10.1021/ja050895l","","","0.7107","MoKα","","","0.085","","","","0.115","","","","","","2.2","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111903","14.55","0.02","11.59","0.02","20.13","0.02","90","","90.92","0.05","90","","3394","8","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N6 -","- C84 H80 N6 -","- C168 H160 N12 -","2","0.5","","Tae Kyu Ahn; Jung Ho Kwon; Deok Yun Kim; Dae Won Cho; Dae Hong Jeong; Seong Keun Kim; Masaaki Suzuki; Soji Shimizu; Atsuhiro Osuka; Dongho Kim","Comparative Photophysics of [26]- and [28]Hexaphyrins(1.1.1.1.1.1): Large Two-Photon Absorption Cross Section of Aromatic [26]Hexaphyrins(1.1.1.1.1.1)","Journal of the American Chemical Society","2005","127","","12856","12861","10.1021/ja050895l","","","0.7107","MoKα","","","0.08","","","","0.274","","","","","","1.301","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111904","20.2656","0.0012","20.2656","0.0012","33.203","0.004","90","","90","","120","","11809.4","1.7","118","2","118","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C152 H165 Cl Mn26 N24 O69 -","- C148.5 H153.03 Cl Mn26 N24 O63.5 -","- C297 H306.06 Cl2 Mn52 N48 O127 -","2","0.333333","","Curtis M. Zaleski; Ezra C. Depperman; Catherine Dendrinou-Samara; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Martin L. Kirk; Vincent L. Pecoraro","Metallacryptate Single-Molecule Magnets: Effect of Lower Molecular Symmetry on Blocking Temperature","Journal of the American Chemical Society","2005","127","","12862","12872","10.1021/ja050951i","","","0.71073","MoKα","","0.0361","0.0329","","","0.0976","0.0994","","","","","","1.078","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111905","8.2042","0.0003","15.1998","0.0006","23.334","0.0009","90","","90","","90","","2909.8","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S2 -","- C35 H33 N O3 S2 -","- C140 H132 N4 O12 S8 -","4","1","","José Luis García Ruano; José Alemán; Alejandro Parra","Highly Stereoselective Benzylation of N-Sulfinylketimines","Journal of the American Chemical Society","2005","127","","13048","13054","10.1021/ja0515203","","","1.54178","CuKα","","0.059","0.0408","","","0.0825","0.0898","","","","","","1.011","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111906","7.3349","0.0001","18.7236","0.0001","20.2187","0.0002","90","","90","","90","","2776.75","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N O3 S2 -","- C31 H33 N O3 S2 -","- C124 H132 N4 O12 S8 -","4","1","","José Luis García Ruano; José Alemán; Alejandro Parra","Highly Stereoselective Benzylation of N-Sulfinylketimines","Journal of the American Chemical Society","2005","127","","13048","13054","10.1021/ja0515203","","","1.54178","CuKα","","0.0278","0.0267","","","0.0697","0.0707","","","","","","1.051","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111907","29.457","0.005","29.457","0.005","54.236","0.02","90","","90","","120","","40756","18","258","2","258","2","","","","","","","","6","R -3 :H","-R 3","148","MOP-28","Copper(II) Terthiophenedicarboxylate","","- C198 H72 Cu12 N6 O60 S36 -","- C198 H72 Cu12 N6 O60 S36 -","- C594 H216 Cu36 N18 O180 S108 -","3","0.166667","","Zheng Ni; Abderrahim Yassar; Tarek Antoun; Omar M. Yaghi","Porous Metal-Organic Truncated Octahedron Constructed from Paddle-Wheel Squares and Terthiophene Links","Journal of the American Chemical Society","2005","127","","12752","12753","10.1021/ja052055c","","","0.71073","MoKα","","0.0694","0.043","","","0.0947","0.0986","","","","","","1.004","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111908","15.082","0.003","31.922","0.006","22.305","0.005","90","","104.11","0.03","90","","10415","4","110","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni4(bptz)4(CH3CN)8][ClO4]8ψ4CH3CNψC4H8O","","","- C76 H76 Cl8 N36 Ni4 O33 -","- C76 H76 Cl8 N36 Ni4 O33 -","- C304 H304 Cl32 N144 Ni16 O132 -","4","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1944","0.0584","","","0.1257","0.1614","","","","","","0.86","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111909","17.933","0.004","28.314","0.006","29.459","0.006","90","","104.82","0.03","90","","14460","6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[{Ni5(bptz)5(CH3CN)10}][SbF6]10ψ2CH3CN","","","- C84 H76 F60 N42 Ni5 Sb10 -","- C84 H76 F58.9596 N42 Ni5 Sb9.8621 -","- C336 H304 F235.838 N168 Ni20 Sb39.4484 -","4","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1428","0.1085","","","0.3159","0.3433","","","","","","1.303","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111910","18.145","0.004","14.925","0.003","22.529","0.004","90","","90","","90","","6101","2","110","2","110","2","","","","","","","","7","I 2 2 2","I 2 2","23","[Ni4(bptz)4(CH3CN)8][SbF6]7[I]","","","- C64 H56 F42 I N32 Ni4 Sb7 -","- C64 H56 F42 I N32 Ni4 Sb7 -","- C128 H112 F84 I2 N64 Ni8 Sb14 -","2","0.25","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.0764","0.0655","","","0.1625","0.1694","","","","","","0.909","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111911","17.869","0.004","14.762","0.003","22.326","0.004","90","","90","","90","","5889","2","110","2","110","2","","","","","","","","8","I 2 2 2","I 2 2","23","[Ni4(bptz)4(CH3CN)8][BF4][PF6][SbF6]6","","","- C64 H56 B F46 N32 Ni4 P Sb6 -","- C64 H56 B F46 N32 Ni4 P Sb6 -","- C128 H112 B2 F92 N64 Ni8 P2 Sb12 -","2","0.25","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1109","0.0808","","","0.2089","0.2313","","","","","","1.04","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111912","20.358","0.004","17.493","0.004","28.123","0.006","90","","98.53","0.03","90","","9904","4","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ni4(bptz)4(CH3CN)4(H2O)4][ClO4][IO4]7ψ3CH3CN","","","- C62 H61 Cl I7 N31 Ni4 O36 -","- C62 H61 Cl I7 N31 Ni4 O36 -","- C248 H244 Cl4 I28 N124 Ni16 O144 -","4","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1922","0.1087","","","0.2804","0.3453","","","","","","1.064","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111913","13.197","0.003","27.7","0.006","23.557","0.005","90","","100.45","0.03","90","","8469","3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni4(bptz)4Br7(CH3CN)Br3]ψ2CH3CNψ2.5C6H5CH3","","","- C71.5 H61 Br10 N27 Ni4 -","- C71.5 H61 Br10 N27 Ni4 -","- C286 H244 Br40 N108 Ni16 -","4","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.209","0.0646","","","0.1469","0.2046","","","","","","0.956","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111914","14.118","0.003","17.09","0.003","21.774","0.004","94.87","0.03","91.43","0.03","97.47","0.03","5186.7","1.8","110","2","173","2","","","","","","","","6","P -1","-P 1","2","[Ni4(bptz)4(CH3CN)8][BF4]8ψ4CH3CN","","","- C72 H68 B8 F32 N36 Ni4 -","- C72 H68 B8 F32 N36 Ni4 -","- C144 H136 B16 F64 N72 Ni8 -","2","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1544","0.087","","","0.2056","0.243","","","","","","1.03","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111915","13.924","0.001","17.071","0.001","21.94","0.001","94.458","0.001","92.51","0.001","97.79","0.001","5143.5","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Zn4(bptz)4(CH3CN)8][BF4]8ψ4CH3CN","","","- C72 H68 B8 F32 N36 Zn4 -","- C72 H68 B8 F32 N36 Zn4 -","- C144 H136 B16 F64 N72 Zn8 -","2","1","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1339","0.0695","","","0.1914","0.2368","","","","","","1.048","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111916","8.639","0.005","10.856","0.005","12.362","0.005","98.355","0.005","104.675","0.005","97.317","0.005","1093.2","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Ni2(bptz)(CH3CN)8][ClO4]4","","","- C28 H32 Cl4 N14 Ni2 O16 -","- C28 H32 Cl4 N14 Ni2 O16 -","- C28 H32 Cl4 N14 Ni2 O16 -","1","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1285","0.0612","","","0.1411","0.1785","","","","","","0.973","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111917","9.135","0.0018","10.859","0.002","14.631","0.003","99.48","0.03","107.53","0.03","102.27","0.03","1311","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","{[Mn(bptz)(CH3CN)2][BF4]2}%ψ1.5nCH3CN","","","- C38 H37 B4 F16 Mn2 N19 -","- C38 H37 B4 F16 Mn2 N19 -","- C38 H37 B4 F16 Mn2 N19 -","1","0.5","","Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar","Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes","Journal of the American Chemical Society","2005","127","","12909","12923","10.1021/ja052108q","","","0.71073","MoKα","","0.1226","0.0528","","","0.113","0.1392","","","","","","0.907","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111918","17.353","0.001","18.956","0.001","19.884","0.001","99.42","","100.11","0.01","93.68","","6323.2","0.6","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C120 H131 N17 O20 -","- C120 H127 N17 O20 -","- C240 H254 N34 O40 -","2","2","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.1506","0.1398","","","0.3659","0.3802","","","","","","1.251","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111919","17.126","0.001","19.1","0.001","20.095","0.001","74.62","","78.47","0.01","84.68","","6204.4","0.6","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C128 H129 N17 O20 -","- C128 H129 N17 O20 -","- C256 H258 N34 O40 -","2","2","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.188","0.1484","","","0.372","0.4119","","","","","","1.552","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111920","13.271","0.001","14.131","0.001","20.652","0.001","90.15","0.01","104.04","0.01","117.1","0.01","3315.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C70.5 H76 N9 O10 -","- C70.5 H75.5 N9 O10 -","- C141 H151 N18 O20 -","2","1","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","0.71073","MoKα","","0.1357","0.0837","","","0.2367","0.2883","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111921","17.8823","0.0008","17.9987","0.0008","21.8143","0.0009","86.313","0.003","69.151","0.003","74.408","0.003","6316.1","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C140 H151 N17 O18 -","- C140.75 H149.25 N17 O18 -","- C281.5 H298.5 N34 O36 -","2","1","","Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc","Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects","Journal of the American Chemical Society","2005","127","","12943","12951","10.1021/ja0527828","","","1.54178","CuKα","","0.1445","0.1132","","","0.3723","0.4161","","","","","","1.029","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111922","25.7295","0.0003","13.5967","0.0002","45.464","0.0003","90","","102.6","0.001","90","","15521.9","0.3","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Fe N28 O14 -","- C52 H52 Fe N28 O14 -","- C416 H416 Fe8 N224 O112 -","8","2","","Woo Sung Jeon; Kwangyul Moon; Sang Hyun Park; Hyungpil Chun; Young Ho Ko; Jin Yong Lee; Eun Sung Lee; S. Samal; N. Selvapalam; Mikhail V. Rekharsky; Vladimir Sindelar; David Sobransingh; Yoshihisa Inoue; Angel E. Kaifer; Kimoon Kim","Complexation of Ferrocene Derivatives by the Cucurbit[7]uril Host: A Comparative Study of the Cucurbituril and Cyclodextrin Host Families","Journal of the American Chemical Society","2005","127","","12984","12989","10.1021/ja052912c","","","0.71073","MoKα","","0.1243","0.0812","","","0.2046","0.2339","","","","","","1.047","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111923","8.875","0.0016","11.612","0.002","15.488","0.003","82.465","0.004","86.737","0.004","74.056","0.004","1521.1","0.5","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","beta-aminodisulfide","N1-(1S*,2S*)-2-[((1S*,2S*)-1,3-dimethyl-2-[(4- methylphenyl) sulfonyl]aminobutyl)disulfanyl]-1-isopropylpropyl-4-methyl-1-benzenesulfonamide","","- C26 H40 N2 O4 S4 -","- C26 H40 N2 O4 S4 -","- C52 H80 N4 O8 S8 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.1424","0.0617","","","0.0937","0.1093","","","","","","0.935","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111924","5.17","0.003","29.506","0.017","8.522","0.005","90","","100.04","0.01","90","","1280.1","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Amino thiirane","N1-[(2R*,3R*)-3-methylthiiran-2-yl]methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S2 -","- C11 H15 N O2 S2 -","- C44 H60 N4 O8 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0687","0.0551","","","0.1279","0.1339","","","","","","1.191","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111925","12.47","0.007","7.347","0.004","15.965","0.009","90","","112.404","0.009","90","","1352.3","1.3","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","cyclic aminodisulfide","N1-[(3R*,4S*)-3-methyl-1,2-dithiolan-4-yl] methyl-4-methyl-1-benzenesulfonamide","","- C11 H15 N O2 S3 -","- C11 H15 N O2 S3 -","- C44 H60 N4 O8 S12 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0654","0.0539","","","0.1401","0.1458","","","","","","1.092","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111926","10.1","0.002","6.3264","0.0013","20.753","0.004","90","","94.225","0.004","90","","1322.4","0.5","296","2","296","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","Tetrahydro aminothiephene","N1-[(3S*)-3-methyltetrahydro-3-thiophenyl]-4-methyl-1-benzenesulfonamide","","- C12 H17 N O2 S2 -","- C12 H17 N O2 S2 -","- C48 H68 N4 O8 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0808","0.0754","","","0.2323","0.2373","","","","","","1.096","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111927","12.384","0.002","7.4375","0.0012","14.612","0.002","90","","105.943","0.003","90","","1294.1","0.3","296","2","296","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","trans-aziridine epoxide","(1aR*2aR*3aS*4aS*-3-[(4-methylphenyl)sulfonyl] perhydrooxireno[2',3':4,5]benzo[b]azirene","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0451","0.0394","","","0.118","0.122","","","","","","1.073","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111928","10.879","0.008","6.214","0.004","13.814","0.01","90","","106.637","0.01","90","","894.8","1.1","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Thia-bicyclononane","N1-[(1R,4S,5R,8R)-4,8-dimethyl-7-oxo-2-thiabicyclo[3.3.1] non-4-yl]-4-methyl-1-benzenesulfonamide","","- C17 H23 N O3 S2 -","- C17 H23 N O3 S2 -","- C34 H46 N2 O6 S4 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0325","0.0313","","","0.0849","0.086","","","","","","1.128","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111929","6.688","0.004","10.74","0.007","12.092","0.008","99.613","0.009","99.698","0.009","97.747","0.009","832.2","0.9","296","2","296","2","","","","","","","see text","5","P -1","-P 1","2","Bridged disulfide","N1-[(1S*2R*4R*5S*)-4-hydroxy-6,7-dithiabicyclo[3.2.1]oct-2-yl]- 4-methyl-1-benzenesulfonamide","","- C13 H17 N O3 S3 -","- C13 H17 N O3 S3 -","- C26 H34 N2 O6 S6 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0645","0.0506","","","0.1393","0.1475","","","","","","1.127","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111930","8.4144","0.0005","13.3381","0.0008","15.0488","0.0009","90","","90","","90","","1688.96","0.17","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Carvone-epoxyaziridine","(1aS,4S,5aS)-1a-methyl-4-(2R)-2-methyl-1-[(4-methylphenyl) sulfonyl]aziran-2-ylperhydro-1-benzoxiren-2-one","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0306","0.0291","","","0.0805","0.0818","","","","","","1.046","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111931","8.098","0.004","10.373","0.006","21.581","0.012","90","","90","","90","","1812.8","1.7","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Thia-bicyclononane derivative","N1-[(1S,4R,5S,7R)-7-hydroxy-1,4-dimethyl-8-oxo-2-thiabicyclo[3.2.2] non-4-yl]-4-methyl-1-benzenesulfonamide","","- C17 H23 N O4 S2 -","- C17 H23 N O4 S2 -","- C68 H92 N4 O16 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0359","0.035","","","0.093","0.0938","","","","","","1.113","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111932","11.8179","0.0017","15.425","0.002","11.8406","0.0016","90","","110.502","0.002","90","","2021.7","0.5","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","diamino tetrahydrothiophene","N1-((3R,4R)-4-[(4-methylphenyl)sulfonyl]aminotetrahydro-3-thiophenyl)- 4-methyl-1-benzenesulfonamide","","- C18 H22 N2 O4 S3 -","- C18 H22 N2 O4 S3 -","- C72 H88 N8 O16 S12 -","4","2","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0709","0.0491","","","0.0976","0.1071","","","","","","1.051","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111933","6.448","0.0008","14.3862","0.0018","22.735","0.003","90","","90","","90","","2108.9","0.5","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Cyclic diaminosulfide","N1-((4R,5R)-5-[(4-methylphenyl)sulfonyl]amino-1,2-dithian-4-yl)- 4-methyl-1-benzenesulfonamide","","- C18 H22 N2 O4 S4 -","- C18 H22 N2 O4 S4 -","- C72 H88 N8 O16 S16 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","x-ray","0.71073","MoKα","","0.068","0.0633","","","0.1333","0.1354","","","","","","1.254","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111934","9.941","0.006","9.161","0.005","15.046","0.009","90","","109.232","0.009","90","","1293.8","1.3","296","2","296","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Diamino thiepane","N1-((3aR,4R,8R,8aR)-2,2-dimethyl-8-[(4-methylphenyl)sulfonyl] aminoperhydrothiepino[4,5-d][1,3]dioxol-4-yl)-4-methyl-1-benzenesulfonamide","","- C23 H30 N2 O6 S3 -","- C23 H30 N2 O6 S3 -","- C46 H60 N4 O12 S6 -","2","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0474","0.0401","","","0.0927","0.0955","","","","","","1.046","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111935","10.06","0.0012","10.06","0.0012","10.06","0.0012","90","","90","","90","","1018.1","0.2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Platinumhexaindiumoxidegermanate","","- Ge2 In6 O9 Pt -","- Ge2 In6 O9 Pt -","- Ge8 In24 O36 Pt4 -","4","0.0208333","","Jürgen Köhler; Holger Friedrich; Myung-Hwan Whangbo; Antoine Villesuzanne","Synthesis and Characterization of [PtIn6](GeO4)2O and Its Solid Solution [PtIn6](GaO4)2-x(GeO4)xOx/2 (0 <=x<= 2): Gradual Color Change of the Solid Solution from Black (x= 0) to Yellow (x= 2) as a Consequence of Quantum Dot Effect","Journal of the American Chemical Society","2005","127","","12990","12996","10.1021/ja053280x","","","0.71073","MoKα","","0.0165","0.0162","","","0.042","0.0421","","","","","","1.39","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4111936","13.5027","0.0004","13.5027","0.0004","13.5027","0.0004","90","","90","","90","","2461.85","0.13","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu10.5 Ga7.39 Mg0.17 Sc3 -","- Cu10.5 Ga7.386 Mg0.174 Sc3 -","- Cu84 Ga59.088 Mg1.392 Sc24 -","8","0.166667","","Qisheng Lin; John D. Corbett","Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases","Journal of the American Chemical Society","2005","127","","12786","12787","10.1021/ja0539645","","","0.71073","MoKα","","0.0498","0.0438","","","0.1003","0.1039","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111937","13.5005","0.0004","13.5005","0.0004","13.5005","0.0004","90","","90","","90","","2460.65","0.13","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu10.5 Ga7.25 Mg0.17 Sc3 -","- Cu10.5 Ga7.247 Mg0.168 Sc3 -","- Cu84 Ga57.976 Mg1.344 Sc24 -","8","0.166667","","Qisheng Lin; John D. Corbett","Electronic Tuning of Mg2Cu6Ga5. A Route to Crystalline Approximant and Quasicrystalline Phases","Journal of the American Chemical Society","2005","127","","12786","12787","10.1021/ja0539645","","","0.71073","MoKα","","0.0453","0.0427","","","0.1026","0.1041","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111938","28.5344","0.0008","28.5344","0.0008","12.2148","0.0005","90","","90","","120","","8613","0.5","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","Tb(BTB)(H2O), 2(C6H11OH)","aqua-Terbium(III) trisbenzoate, cyclohexanol solvate","","- C39 H39 O9 Tb -","- C39 H39 O9 Tb -","- C351 H351 O81 Tb9 -","9","0.5","","Thomas Devic; Christian Serre; Nathalie Audebrand; Jérôme Marrot; Gérard Férey","MIL-103, A 3-D Lanthanide-Based Metal Organic Framework with Large One-Dimensional Tunnels and A High Surface Area","Journal of the American Chemical Society","2005","127","","12788","12789","10.1021/ja053992n","","","0.71073","MoKα","","0.0628","0.0427","","","0.1033","0.1288","","","","","","1.11","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111939","9.8426","0.0012","18.821","0.002","22.748","0.003","90","","91.684","0.002","90","","4212.2","0.9","206","2","206","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 Fe N3 Si2 -","- C41 H66 Fe N3 Si2 -","- C164 H264 Fe4 N12 Si8 -","4","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.105","0.0623","","","0.1399","0.1552","","","","","","1.036","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111940","9.61","0.003","10.865","0.003","22.115","0.007","89.135","0.005","85.805","0.006","66.61","0.005","2113.4","1.1","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H65 Fe N3 Si2 -","- C41 H65 Fe N3 Si2 -","- C82 H130 Fe2 N6 Si4 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.1298","0.0721","","","0.1272","0.1443","","","","","","1.011","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111941","11.574","0.003","18.331","0.005","21.787","0.005","90","","96.094","0.005","90","","4596","2","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H66 Cl Fe Li N3 O3 -","- C45 H66 Cl Fe Li N3 O3 -","- C180 H264 Cl4 Fe4 Li4 N12 O12 -","4","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.1129","0.0783","","","0.154","0.1686","","","","","","1.065","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111942","15.998","0.019","27.61","0.03","24.9","0.03","90","","97.75","0.02","90","","10898","2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H86 Fe Li N3 O4 Si -","- C53 H86 Fe Li N3 O4 Si -","- C424 H688 Fe8 Li8 N24 O32 Si8 -","8","2","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar","Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst","Journal of the American Chemical Society","2005","127","","13019","13029","10.1021/ja054152b","","","0.71073","MoKα","","0.1039","0.0688","","","0.1518","0.1685","","","","","","1.008","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111943","9.2892","0.0008","10.5046","0.0009","16.1275","0.0014","90","","96.198","0.001","90","","1564.5","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Br O5 -","- C15 H19 Br O5 -","- C60 H76 Br4 O20 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.0401","0.0323","","","0.0837","0.0876","","","","","","1.072","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111944","7.9639","0.0003","23.3702","0.0008","8.5236","0.0003","90","","99.8561","0.0006","90","","1562.98","0.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br O5 -","- C15 H19 Br O5 -","- C60 H76 Br4 O20 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.0301","0.0252","","","0.0656","0.0677","","","","","","1.036","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111945","10.2249","0.0006","9.8448","0.0006","15.8781","0.001","90","","105.382","0.001","90","","1541.07","0.16","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br O5 -","- C15 H19 Br O5 -","- C60 H76 Br4 O20 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.031","0.0266","","","0.0664","0.0685","","","","","","1.078","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111946","7.8495","0.0009","33.138","0.004","7.8963","0.0009","90","","102.652","0.002","90","","2004.1","0.4","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.1168","0.0514","","","0.1051","0.1322","","","","","","0.995","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111947","7.6045","0.001","8.7072","0.0012","15.59","0.002","75.876","0.002","82.717","0.002","80.088","0.002","982.2","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C44 H48 O14 -","2","1","","Siu Hong Yu; Michael J. Ferguson; Robert McDonald; Dennis G. Hall","Brønsted Acid-Catalyzed Allylboration: Short and Stereodivergent Synthesis of All Four Eupomatilone Diastereomers with Crystallographic Assignments","Journal of the American Chemical Society","2005","127","","12808","12809","10.1021/ja054171l","","","0.71073","MoKα","","0.0962","0.0498","","","0.1139","0.1378","","","","","","1.012","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111948","11.287","0.003","12.574","0.003","12.667","0.003","91.95","0.004","109.062","0.003","92.205","0.004","1695.8","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 Cl2 N4 O8 Pd -","- C37 H26 Cl2 N4 O8 Pd -","- C74 H52 Cl4 N8 O16 Pd2 -","2","1","","Allison R. Dick; Jeff W. Kampf; Melanie S. Sanford","Unusually Stable Palladium(IV) Complexes: Detailed Mechanistic Investigation of C-O Bond-Forming Reductive Elimination","Journal of the American Chemical Society","2005","127","","12790","12791","10.1021/ja0541940","","","0.71073","MoKα","","0.0501","0.0425","","","0.1152","0.1213","","","","","","1.07","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111949","10.479","0.001","10.8719","0.0009","15.033","0.002","89.295","0.003","86.88","0.002","61.205","0.003","1498.5","0.3","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H47 Ni O P -","- C34 H47 Ni O P -","- C68 H94 Ni2 O2 P2 -","2","1","","Sensuke Ogoshi; Mizu Ueta; Tomoya Arai; Hideo Kurosawa","AlMe3-Promoted Oxidative Cyclization of η2-Alkene and η2-Ketone on Nickel(0). Observation of Intermediate in Methyl Transfer Process","Journal of the American Chemical Society","2005","127","","12810","12811","10.1021/ja0542486","","","0.7107","MoKα","","","0.095","","","","0.079","","","","","","19.951","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111950","12.1325","0.0005","12.228","0.0006","14.3338","0.0007","68.703","0.001","74.016","0.003","88.774","0.003","1897.34","0.16","273.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H56 Al Ni O P -","- C24.6667 H37.3333 Al0.666667 Ni0.666667 O0.666667 P0.666667 -","- C74 H112 Al2 Ni2 O2 P2 -","3","1.5","","Sensuke Ogoshi; Mizu Ueta; Tomoya Arai; Hideo Kurosawa","AlMe3-Promoted Oxidative Cyclization of η2-Alkene and η2-Ketone on Nickel(0). Observation of Intermediate in Methyl Transfer Process","Journal of the American Chemical Society","2005","127","","12810","12811","10.1021/ja0542486","","","0.7107","MoKα","","","0.062","","","","0.099","","","","","","5.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111951","8.7914","0.0004","8.7914","0.0004","25.7475","0.0019","90","","90","","120","","1723.38","0.17","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C12 H54 N8 O22 P4 Zn3 -","- C12 H54 N8 O22 P4 Zn3 -","- C24 H108 N16 O44 P8 Zn6 -","2","0.166667","","Yueh-Chun Liao; Yao-Chen Jiang; Sue-Lein Wang","Discrete Water Hexamers and Template-Assisted Molecular Recognition in an Elastic Zincophosphate Lattice","Journal of the American Chemical Society","2005","127","","12794","12795","10.1021/ja054357k","","","0.71073","MoKα","","0.0481","0.0438","","","0.1032","0.1048","","","","","","1.208","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111952","15.0239","0.0009","8.5826","0.0005","36.299","0.002","90","","100.684","0.001","90","","4599.4","0.5","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H54 N8 O24 P4 Zn3 -","- C28 H52 N8 O24 P4 Zn3 -","- C112 H208 N32 O96 P16 Zn12 -","4","0.5","","Yueh-Chun Liao; Yao-Chen Jiang; Sue-Lein Wang","Discrete Water Hexamers and Template-Assisted Molecular Recognition in an Elastic Zincophosphate Lattice","Journal of the American Chemical Society","2005","127","","12794","12795","10.1021/ja054357k","","","0.71073","MoKα","","0.0556","0.049","","","0.1221","0.1248","","","","","","1.286","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111953","25.214","0.001","11.4673","0.0004","21.2735","0.0009","90","","94.362","0.003","90","","6133.1","0.4","173.2","","173.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H78 N6 O2 P2 Si4 Zr2 -","- C56 H78 N6 O2 P2 Si4 Zr2 -","- C224 H312 N24 O8 P8 Si16 Zr8 -","4","0.5","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.7107","MoKα","","0.0538","0.03","","0.0847","","0.0847","","","1.063","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111954","25.13","0.0009","26.7178","0.001","27.4226","0.001","90","","114.884","0.002","90","","16702.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H100 N6 P4 Si8 Ti2 -","- C62 H100 N6 P4 Si8 Ti2 -","- C496 H800 N48 P32 Si64 Ti16 -","8","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.1052","0.0621","","","0.1795","0.1979","","","","","","1.011","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111955","8.6354","0.0007","20.9776","0.0016","8.8355","0.0007","90","","92.563","0.004","90","","1598.9","0.2","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H39 Cl2 N2 O P Si2 Ti -","- C28 H39 Cl2 N2 O P Si2 Ti -","- C56 H78 Cl4 N4 O2 P2 Si4 Ti2 -","2","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.0656","0.049","","","0.1104","0.1183","","","","","","0.959","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111956","15.764","0.0009","17.9296","0.001","22.562","0.0014","90","","96.006","0.002","90","","6342","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H78 N6 P2 Si4 Ti2 -","- C62 H78 N6 P2 Si4 Ti2 -","- C248 H312 N24 P8 Si16 Ti8 -","4","1","","Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk","Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen","Journal of the American Chemical Society","2005","127","","12796","12797","10.1021/ja054467r","","","0.71069","MoKα","","0.0736","0.0595","","","0.1442","0.1558","","","","","","1.056","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111957","14.8445","0.0008","23.8182","0.0013","26.326","0.0014","90","","100.51","0.001","90","","9151.9","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H46 F12 N7 O2.5 P2 Ru -","- C41.5 H46 F12 N7 O2.5 P2 Ru -","- C332 H368 F96 N56 O20 P16 Ru8 -","8","1","","Ruifa Zong; Randolph P. Thummel","A New Family of Ru Complexes for Water Oxidation","Journal of the American Chemical Society","2005","127","","12802","12803","10.1021/ja054791m","","","0.71073","MoKα","","0.0852","0.0575","","","0.1471","0.171","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111958","20.2268","0.0003","20.8583","0.0005","19.3017","0.0004","90","","90","","90","","8143.3","0.3","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H62 N3 Na O Zn -","- C36 H62 N3 Na O Zn -","- C288 H496 N24 Na8 O8 Zn8 -","8","1","","Eva Hevia; Gordon W. Honeyman; Alan R. Kennedy; Robert E. Mulvey","Trapping, Stabilization, and Characterization of an Enolate Anion of a 1,6-Adduct of Benzophenone Chelated by a Sodium Alkylamidozincate Cation","Journal of the American Chemical Society","2005","127","","13106","13107","10.1021/ja053756c","","","0.71073","MoKα","","0.0944","0.0502","","","0.1319","0.1469","","","","","","1.085","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111959","12.8817","0.0006","17.4734","0.0008","17.0293","0.0008","90","","111.575","0.001","90","","3564.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Cd2 N8 Se10.11 Yb4 -","- C64 H60 Cd2 N8 Se10.104 Yb4 -","- C128 H120 Cd4 N16 Se20.208 Yb8 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","0.71073","MoKα","","0.0976","0.0526","","","0.0998","0.1107","","","","","","0.998","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111960","12.907","0.0006","17.5001","0.0008","16.9594","0.0008","90","","111.849","0.001","90","","3555.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Hg2 N8 Se10.08 Yb4 -","- C64 H60 Hg2 N8 Se10.078 Yb4 -","- C128 H120 Hg4 N16 Se20.156 Yb8 -","2","0.5","","Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds","Journal of the American Chemical Society","2005","127","","14008","14014","10.1021/ja0534708","","","0.71073","MoKα","","0.0664","0.0415","","","0.0843","0.0924","","","","","","1.009","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111961","10.6357","0.0016","39.908","0.006","13.825","0.002","90","","94.514","0.003","90","","5849.8","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H81 Cl Cr N2 O2 P -","- C39.5707 H61.5933 Cl0.666667 Cr0.666667 N1.33333 O2.89267 P0.666667 -","- C237.424 H369.56 Cl4 Cr4 N8 O17.356 P4 -","6","1.5","","Donald J. Darensbourg; Ryan M. Mackiewicz","Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes","Journal of the American Chemical Society","2005","127","","14026","14038","10.1021/ja053544f","","","0.71073","MoKα","","0.2798","0.0998","","","0.2045","0.2705","","","","","","1.052","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111962","11.00658","0.00016","3.95831","0.0002","6.85542","0.00029","90","","90","","90","","298.67","0.02","","","","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Cu0.73 La Mo0.25 O3 Zn0.03 -","- Cu0.725 La Mo0.25 O3 Zn0.025 -","- Cu2.9 La4 Mo O12 Zn0.1 -","4","0.5","","Guobao Li; Liping You; Wutao Wei; Yue Lu; Jing Ju; Anders Wannberg; Håkan Rundlöf; Xiaodong Zou; Tao Yang; Shujian Tian; Fuhui Liao; Naoki Toyota; Jianhua Lin","La4Cu3-xZnxMoO12: Zinc-Doped Cuprates with Kagomé Lattices","Journal of the American Chemical Society","2005","127","","14094","14099","10.1021/ja053489a","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08048","","2.89","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4111963","7.8771","0.0016","11.924","0.002","16.046","0.003","80.722","0.004","84.914","0.003","84.786","0.003","1477.1","0.5","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 Ir2 O12 -","- C24 H40 Ir2 O12 -","- C48 H80 Ir4 O24 -","2","1","","William J. Tenn; Kenneth J. H. Young; Gaurav Bhalla; Jonas Oxgaard; William A. Goddard; Roy A. Periana","CH Activation with an O-Donor Iridium-Methoxo Complex","Journal of the American Chemical Society","2005","127","","14172","14173","10.1021/ja051497l","","","0.71073","MoKα","","0.0975","0.0602","","","0.1361","0.1484","","","","","","1.001","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111964","11.2909","0.0008","13.7659","0.001","13.924","0.001","90","","90","","90","","2164.2","0.3","133","2","133","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H23 Cl3 Ir N O5 -","- C17 H23 Cl3 Ir N O5 -","- C68 H92 Cl12 Ir4 N4 O20 -","4","0.5","","William J. Tenn; Kenneth J. H. Young; Gaurav Bhalla; Jonas Oxgaard; William A. Goddard; Roy A. Periana","CH Activation with an O-Donor Iridium-Methoxo Complex","Journal of the American Chemical Society","2005","127","","14172","14173","10.1021/ja051497l","","","0.71073","MoKα","","0.0246","0.022","","","0.066","0.0672","","","","","","1.06","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111965","3.23439","0.00007","3.23439","","5.25266","","90","","90","","120","","47.5877","0.001","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111966","4.5288","","4.5288","","3.0177","","90","","90","","90","","61.893","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- D1.29 Mg -","- D1.3 Mg -","- D2.6 Mg2 -","2","0.125","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111967","4.52026","0.00006","4.52026","","3.02593","0.00006","90","","90","","90","","61.8281","0.0015","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- D1.95 Mg -","- D1.9512 Mg -","- D3.9024 Mg2 -","2","0.125","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111968","4.227","","4.227","","4.227","","90","","90","","90","","75.526","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111969","3.3279","","3.3279","","3.3279","","90","","90","","90","","36.856","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111970","3.438","","3.438","","3.438","","90","","90","","90","","40.637","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- D0.83 Nb -","- D0.83214 Nb -","- D1.66428 Nb2 -","2","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111971","4.07047","","4.07047","","4.07047","","90","","90","","90","","67.443","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Mg0.33 Nb1.67 O3 -","- Mg0.3333 Nb1.6667 O3 -","- Mg0.3333 Nb1.6667 O3 -","1","0.0208333","","H. Gijs Schimmel; Jacques Huot; Laurent C. Chapon; Frans D. Tichelaar; Fokko M. Mulder","Hydrogen Cycling of Niobium and Vanadium Catalyzed Nanostructured Magnesium","Journal of the American Chemical Society","2005","127","","14348","14354","10.1021/ja051508a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111972","15.536","0.002","9.107","0.0008","28.617","0.003","90","","95.15","0.004","90","","4032.6","0.8","173.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H28 Cl3 O3 P Ru -","- C15.5 H28 Cl3 O3 P Ru -","- C124 H224 Cl24 O24 P8 Ru8 -","8","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0359","","","","0.0952","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111973","9.449","0.006","16.93","0.01","13.252","0.008","90","","90","","90","","2120","2","223.2","","","","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C15 H27 Mo O4 P Ru S3 -","- C15 H27 Mo O4 P Ru S3 -","- C60 H108 Mo4 O16 P4 Ru4 S12 -","4","0.5","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0396","","","","0.0879","","","","","","0.836","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111974","8.934","0.004","23.35","0.01","13.258","0.007","90","","96.171","0.007","90","","2750","2","173.2","","","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C16.4 H29.1 Cu I Mo N0.7 O4 P Ru S3 -","- C16.4 H29.1 Cu I Mo N0.7 O4 P Ru S3 -","- C65.6 H116.4 Cu4 I4 Mo4 N2.8 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0576","","","","0.1599","","","","","","0.809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111975","16.036","0.009","11.237","0.006","15.621","0.009","90","","93.755","0.009","90","","2809","3","223.2","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C18 H33 Cu I Mo O4 P Ru S3 -","- C18 H33 Cu I Mo O4 P Ru S3 -","- C72 H132 Cu4 I4 Mo4 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0567","","","","0.1447","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111976","37.63","0.02","9.293","0.004","19.393","0.009","90","","110.535","0.005","90","","6351","5","173.2","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 Cu2 I2 Mo N O5 P Ru S3 -","- C18 H34 Cu2 I2 Mo N O5 P Ru S3 -","- C144 H272 Cu16 I16 Mo8 N8 O40 P8 Ru8 S24 -","8","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0534","","","","0.1652","","","","","","0.74","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111977","9.545","0.002","18.288","0.003","31.466","0.006","90","0.0007","97.502","0.0007","90","0.0007","5445.7","1.8","173.2","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C15 H27 Cu2 I2 Mo O4 P Ru S3 -","- C15 H27 Cu2 I2 Mo O4 P Ru S3 -","- C120 H216 Cu16 I16 Mo8 O32 P8 Ru8 S24 -","8","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0416","","","","0.085","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111978","9.395","0.004","16.327","0.007","19.521","0.009","90","","95.777","0.005","90","","2979","2","223.2","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Cu2 I2 Mo O4 P Ru S3 -","- C18 H33 Cu2 I2 Mo O4 P Ru S3 -","- C72 H132 Cu8 I8 Mo4 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0457","","","","0.1188","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111979","7.7179","0.0007","8.5901","0.0008","10.957","0.001","81.449","0.002","80.396","0.002","72.358","0.002","678.82","0.11","100","1","100","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C36 H40 -","- C36 H40 -","- C36 H40 -","1","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0749","0.0534","","","0.144","0.1535","","","","","","1.098","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111980","9.523","0.004","12.352","0.005","13.559","0.005","63.298","0.006","77.596","0.007","76.146","0.006","1372.8","1","100","1","100","1","","","","","","","see text","2","P -1","-P 1","2","","","","- C36 H40 -","- C36 H40 -","- C72 H80 -","2","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0768","0.0563","","","0.1651","0.1829","","","","","","1.034","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111981","9.042","0.001","18.855","0.001","6.767","0.001","90","","90","","90","","1153.7","0.2","130","","130","","","","","","","","by syntheses","2","P 21 21 2","P 2 2ab","18","","","","- C32 H32 -","- C32 H32 -","- C64 H64 -","2","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0492","0.039","","","0.0932","0.1005","","","","","","1.038","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111982","18.841","0.001","6.9763","0.0004","20.604","0.001","90","","112.187","0.001","90","","2507.7","0.2","100","1","100","1","","","","","","","see text","2","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 -","- C34 H36 -","- C136 H144 -","4","0.5","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0503","0.0465","","","0.1291","0.1331","","","","","","1.06","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111983","11.736","0.003","16.546","0.004","24.984","0.005","90","","90","","90","","4851","2","297","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C32 H32 -","- C32 H32 -","- C256 H256 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.1009","0.0514","","","0.116","0.1391","","","","","","1.002","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111984","11.8625","0.0006","16.636","0.0008","25.452","0.001","90","","90","","90","","5022.8","0.4","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C34 H36 -","- C34 H36 -","- C272 H288 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0753","0.0474","","","0.1017","0.1132","","","","","","1.032","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111985","18.161","0.002","7.3428","0.0007","22.132","0.002","90","","113.698","0.002","90","","2702.5","0.5","110","","110","2","","","","","","","see text","2","P 1 2/a 1","-P 2ya","13","","","","- C36 H40 -","- C36 H40 -","- C144 H160 -","4","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0865","0.0507","","","0.1119","0.1278","","","","","","1.02","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111986","13.267","0.0017","21.482","0.003","16.249","0.002","90","","90.439","0.003","90","","4630.9","1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84 H70 F12 N10 O12 Rh2 S4 -","- C84 H70 F12 N10 O12 Rh2 S4 -","- C168 H140 F24 N20 O24 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0839","0.0758","","","0.1792","0.1846","","","","","","1.181","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111987","13.847","0.0016","14.3366","0.0016","9.9933","0.0011","90","","90","","90","","1983.9","0.4","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 F6 N2 O8 Rh2 -","- C12 H12 F6 N2 O8 Rh2 -","- C48 H48 F24 N8 O32 Rh8 -","4","0.5","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0571","0.0541","","","0.1101","0.1113","","","","","","1.331","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111988","11.5271","0.0019","16.631","0.003","12.189","0.002","90","","98.614","0.003","90","","2310.4","0.7","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H36 F6 N6 O10 Rh2 S2 -","- C40 H36 F6 N6 O10 Rh2 S2 -","- C80 H72 F12 N12 O20 Rh4 S4 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0457","0.0386","","","0.0659","0.0682","","","","","","0.912","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111989","10.5313","0.0013","19.398","0.003","16.449","0.002","90","","108.052","0.002","90","","3194.9","0.7","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C57 H50 Cl2 F9 N9 O11 Rh2 S3 -","- C57 H50 Cl2 F9 N9 O11 Rh2 S3 -","- C114 H100 Cl4 F18 N18 O22 Rh4 S6 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0303","0.0295","","","0.0791","0.0797","","","","","","1.095","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111990","11.7119","0.0018","14.031","0.002","29.001","0.005","90","","90","","90","","4765.7","1.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 F6 N4 O13 Rh2 S2 -","- C34 H64 F6 N4 O13 Rh2 S2 -","- C136 H256 F24 N16 O52 Rh8 S8 -","4","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0798","0.0598","","","0.1271","0.1364","","","","","","1.025","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4111991","14.2337","0.0014","13.821","0.0015","20.4729","0.0018","90","","91.568","0.002","90","","4026","0.7","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C74 H72 F12 N8 O16 Rh2 S4 -","- C74 H72 F12 N8 O16 Rh2 S4 -","- C148 H144 F24 N16 O32 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.1105","0.0741","","","0.1065","0.1188","","","","","","0.954","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111992","8.2651","0.0019","9.981","0.002","12.202","0.003","90","","97.301","0.004","90","","998.4","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F6 N2 O8 Rh2 -","- C12 H12 F6 N2 O8 Rh2 -","- C24 H24 F12 N4 O16 Rh4 -","2","0.5","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0637","0.0589","","","0.1029","0.1045","","","","","","1.356","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111993","14.513","0.002","17.419","0.002","17.74","0.003","90","","102.554","0.003","90","","4377.5","1.1","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H69 F12 N15 O12 Rh2 S4 -","- C78 H69 F12 N15 O12 Rh2 S4 -","- C156 H138 F24 N30 O24 Rh4 S8 -","2","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.055","0.0464","","","0.0917","0.0949","","","","","","1.101","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111994","6.104","0.005","9.386","0.005","32.061","0.005","90","","94.516","0.005","90","","1831.1","1.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-anisyl-1,2-diphenyl-4-methylcyclobutanol","","- C24 H24 O2 -","- C24 H24 O2 -","- C96 H96 O8 -","4","1","","Nidhi Singhal; Apurba L. Koner; Prasenjit Mal; Paloth Venugopalan; Werner M. Nau; Jarugu Narasimha Moorthy","Diastereomer-Differentiating Photochemistry of β-Arylbutyrophenones: Yang Cyclization versus Type II Elimination","Journal of the American Chemical Society","2005","127","","14375","14382","10.1021/ja0523643","","","0.71069","MoKα","","0.0423","0.0397","","","0.0951","0.0967","","","","","","1.023","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111995","5.76","0.001","17.916","0.002","19.174","0.004","90","","98.54","0.01","90","","1956.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Aplha-methyl-beta-anisyl-gamma-phenylbutyrophenone","","","- C24 H24 O2 -","- C24 H24 O2 -","- C96 H96 O8 -","4","2","","Nidhi Singhal; Apurba L. Koner; Prasenjit Mal; Paloth Venugopalan; Werner M. Nau; Jarugu Narasimha Moorthy","Diastereomer-Differentiating Photochemistry of β-Arylbutyrophenones: Yang Cyclization versus Type II Elimination","Journal of the American Chemical Society","2005","127","","14375","14382","10.1021/ja0523643","","","0.71073","MoKα","","0.1189","0.0793","","","0.2097","0.2333","","","","","","1.013","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111996","28.367","0.006","14.059","0.003","20.14","0.004","90","","94.21","0.03","90","","8010","3","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H45 Cl2 F6 N6 O13.5 Ru2 -","- C23.5 H42 Cl2 F6 N6 O13.5 Ru2 -","- C188 H336 Cl16 F48 N48 O108 Ru16 -","8","1","","Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che","Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies","Journal of the American Chemical Society","2005","127","","14239","14249","10.1021/ja0528230","","","0.71069","MoKα","","0.0975","0.0693","","","0.2066","0.222","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111997","17.884","0.004","10.427","0.002","14.204","0.003","90","","103.6","0.03","90","","2574.4","1","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 Cl F3 N3 O9 Ru -","- C19 H36 Cl F3 N3 O9 Ru -","- C76 H144 Cl4 F12 N12 O36 Ru4 -","4","1","","Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che","Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies","Journal of the American Chemical Society","2005","127","","14239","14249","10.1021/ja0528230","","","0.71069","MoKα","","0.0819","0.0484","","","0.1154","0.1331","","","","","","0.935","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111998","31.671","0.006","7.705","0.002","20.991","0.004","90","","95.95","0.03","90","","5094.7","1.9","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 Cl F3 N3 O8 Ru -","- C20 H31 Cl F3 N3 O8 Ru -","- C160 H248 Cl8 F24 N24 O64 Ru8 -","8","1","","Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che","Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies","Journal of the American Chemical Society","2005","127","","14239","14249","10.1021/ja0528230","","","0.71069","MoKα","","0.1209","0.0691","","","0.1743","0.2036","","","","","","0.907","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111999","9.6313","0.0019","13.189","0.003","17.622","0.004","75.25","0.03","88.95","0.03","81.52","0.03","2140.6","0.9","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","[Fe(TPP)(1-MeIm)(CO)].C6H6","","","- C55 H40 Fe N6 O -","- C55 H40 Fe N6 O -","- C110 H80 Fe2 N12 O2 -","2","1","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","x-ray","0.71073","MoKα","","0.0615","0.0459","","","0.1155","0.1259","","","","","","1.024","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4112000","13.1961","0.0002","23.4514","0.0003","14.263","0.0002","90","","105.198","0.001","90","","4259.55","0.11","100","2","100","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(2MeHIm)(CO)].C7H8","","","- C56 H42 Fe N6 O -","- C56 H34 Fe N6 O -","- C224 H136 Fe4 N24 O4 -","4","1","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","x-ray","0.71073","MoKα","","0.0618","0.0446","","","0.1139","0.1252","","","","","","1.028","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112001","15.0577","0.0008","18.8294","0.001","13.7197","0.0007","90","","102.894","0.001","90","","3791.8","0.3","100","2","100","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","[Fe(TPP)(1,2Me~2~Im)(CO)]","","","- C50 H36 Fe N6 O -","- C50 H36 Fe N6 O -","- C200 H144 Fe4 N24 O4 -","4","0.5","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","x-ray","0.71073","MoKα","","0.0453","0.0406","","","0.1073","0.1115","","","","","","1.052","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112002","13.1599","0.0005","23.6195","0.0009","14.4695","0.0006","90","","101.561","0.002","90","","4406.3","0.3","100","2","100","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","[Fe(TPP)(1,2DiMeIm)(CO)].C7H8","","","- C56.77 H39.46 Fe N6 O -","- C56.772 H39.456 Fe N6 O -","- C227.088 H157.824 Fe4 N24 O4 -","4","1","","Nathan J. Silvernail; Arne Roth; Charles E. Schulz; Bruce C. Noll; W. Robert Scheidt","Heme Carbonyls: Environmental Effects on νC-O and Fe-C/C-O Bond Length Correlations","Journal of the American Chemical Society","2005","127","","14422","14433","10.1021/ja053148x","","","0.71073","MoKα","","0.0675","0.0487","","","0.1473","0.1559","","","","","","1.12","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112003","15.1322","0.0009","19.277","0.0012","30.218","0.0018","90","","99.309","0.001","90","","8698.6","0.9","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H29 B N6 O P2 Ru -","- C15 H29 B N6 O P2 Ru -","- C240 H464 B16 N96 O16 P32 Ru16 -","16","4","","Yuee Feng; Marty Lail; Khaldoon A. Barakat; Thomas R. Cundari; T. Brent Gunnoe; Jeffrey L. Petersen","Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond","Journal of the American Chemical Society","2005","127","","14174","14175","10.1021/ja054101e","","","0.71073","MoKα","","0.0899","0.049","","","0.1019","0.1181","","","","","","0.98","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112004","11.8975","0.0008","12.4108","0.0008","12.7617","0.0008","97.33","0.001","102.134","0.001","104.13","0.001","1754.4","0.2","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B Sc -","- C44 H50 B Sc -","- C88 H100 B2 Sc2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0666","0.0477","","","0.1108","0.1193","","","","","","1.022","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112005","9.951","0.001","17.027","0.002","12.025","0.001","90","","93.335","0.002","90","","2034","0.4","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C44 H30 B F20 Sc -","- C44 H30 B F20 Sc -","- C88 H60 B2 F40 Sc2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1043","0.0645","","","0.1587","0.1799","","","","","","1.037","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112006","13.3636","0.0007","15.06","0.0007","17.7873","0.0009","97.131","0.001","90.604","0.001","91.97","0.001","3549.6","0.3","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B Ti -","- C44 H50 B Ti -","- C176 H200 B4 Ti4 -","4","2","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1079","0.0532","","","0.1074","0.1265","","","","","","0.986","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112007","9.975","0.0008","17.053","0.001","12.0218","0.0009","90","","93.967","0.001","90","","2040.1","0.3","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C44 H30 B F20 Ti -","- C44 H30 B F20 Ti -","- C88 H60 B2 F40 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1286","0.0941","","","0.2505","0.278","","","","","","1.04","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112008","13.3504","0.0007","15.1039","0.0008","17.7288","0.0009","96.341","0.001","90.936","0.001","92.728","0.001","3548.2","0.3","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H50 B V -","- C44 H50 B V -","- C176 H200 B4 V4 -","4","2","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0811","0.0583","","","0.1498","0.164","","","","","","1.035","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112009","11.1664","0.0007","12.8945","0.0008","15.671","0.001","98.4","0.001","109.737","0.001","102.362","0.001","2015.2","0.2","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C44 H30 B F20 V -","- C44 H30 B F20 V -","- C88 H60 B2 F40 V2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.044","0.0394","","","0.1052","0.1084","","","","","","1.021","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112010","10.0041","0.0005","30.858","0.002","18.22","0.001","90","","103.678","0.001","90","","5465.1","0.5","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 B F4 Sc -","- C68 H70 B F4 Sc -","- C272 H280 B4 F16 Sc4 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0938","0.0551","","","0.1222","0.1388","","","","","","1.016","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112011","11.992","0.001","13.649","0.002","14.883","0.001","90.95","0.01","109.499","0.008","90.865","0.009","2295.5","0.4","130","","130","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C56 H60 B F2 Ti -","- C56 H60 B F2 Ti -","- C112 H120 B2 F4 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","","0.0536","","","0.1407","","","","","","","1.115","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112012","10.574","0.001","15.127","0.002","15.421","0.002","70.485","0.002","84.384","0.002","78.187","0.002","2274.5","0.5","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C50 H35 B F21 Ti -","- C50 H35 B F21 Ti -","- C100 H70 B2 F42 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1342","0.1016","","","0.2974","0.3137","","","","","","1.085","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112013","19.286","0.001","21.404","0.001","20.393","0.001","90","","90.399","0.001","90","","8418","0.7","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 B F2 Sc -","- C50 H54 B F2 Sc -","- C400 H432 B8 F16 Sc8 -","8","2","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1304","0.0707","","","0.179","0.2118","","","","","","1.03","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112014","12.1741","0.0006","13.8252","0.0007","14.7794","0.0007","91.177","0.001","109.854","0.001","93.221","0.001","2333.9","0.2","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C56 H58 B F4 Ti -","- C56 H58 B F4 Ti -","- C112 H116 B2 F8 Ti2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0868","0.0603","","","0.1513","0.1676","","","","","","1.021","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112015","15.8365","0.0007","19.0317","0.0009","19.9246","0.0009","90","","91.706","0.001","90","","6002.5","0.5","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H63 B F20 Sc2 -","- C65 H63 B F20 Sc2 -","- C260 H252 B4 F80 Sc8 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1467","0.0806","","","0.19","0.2265","","","","","","1.018","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112016","10.4868","0.0005","21.575","0.001","18.957","0.001","90","","95.806","0.001","90","","4267.1","0.4","90","","90","2","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 B D16 O2 Sc -","- C52 H50 B D16 O2 Sc -","- C208 H200 B4 D64 O8 Sc4 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.1046","0.0557","","","0.1119","0.1295","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112017","17.995","0.002","13.483","0.001","18.008","0.002","90","","90.06","0.008","90","","4369.2","0.8","130","","130","1","","","","","","","see text","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H66 B O2 Ti -","- C52 H64.776 B O2 Ti -","- C208 H259.104 B4 O8 Ti4 -","4","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","","0.1322","","","0.0535","","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112018","10.3736","0.0006","11.7889","0.0007","16.45","0.001","92.277","0.001","103.375","0.001","92.858","0.001","1952","0.2","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C48 H58 B O V -","- C48 H58 B O V -","- C96 H116 B2 O2 V2 -","2","1","","Marco W. Bouwkamp; Peter H. M. Budzelaar; Jeroen Gercama; Isabel Del Hierro Morales; Jeanette de Wolf; Auke Meetsma; Sergei I. Troyanov; Jan H. Teuben; Bart Hessen","Naked (C5Me5)2M Cations (M = Sc, Ti, and V) and Their Fluoroarene Complexes","Journal of the American Chemical Society","2005","127","","14310","14319","10.1021/ja054544i","","","0.71073","MoKα","","0.0413","0.0373","","","0.0991","0.1021","","","","","","1.053","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112019","12.479","0.004","8.2482","0.0002","24.018","0.008","90","","91.22","0.0009","90","","2471.6","1.1","293","2","293","2","","","101300","","","","synthesized by our group","2","P 1 21/c 1","-P 2ybc","14","Trans-DPDSB","Trans,trans-2,5-Diphenyl-1,4-distyrylbenzene","","- C34 H26 -","- C34 H26 -","- C136 H104 -","4","1","","Zengqi Xie; Bing Yang; Feng Li; Gang Cheng; Linlin Liu; Guangdi Yang; Hai Xu; Ling Ye; Muddasir Hanif; Shiyong Liu; Dongge Ma; Yuguang Ma","Cross Dipole Stacking in the Crystal of Distyrylbenzene Derivative: The Approach toward High Solid-State Luminescence Efficiency","Journal of the American Chemical Society","2005","127","","14152","14153","10.1021/ja054661d","","x-ray","0.71073","MoKα","","0.2","0.0496","","","0.0938","0.1507","","","","","","0.979","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112020","18.5416","0.0009","15.6225","0.001","7.8136","0.0003","90","","90","","90","","2263.3","0.2","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C58 H50 N6 O Ti3 -","- C58 H50 N6 O Ti3 -","- C116 H100 N12 O2 Ti6 -","2","0.5","","Ingmar M. Piglosiewicz; Ruediger Beckhaus; Wolfgang Saak; Detlev Haase","Dehydroaromatization of Quinoxalines: One-Step Syntheses of Trinuclear 1,6,7,12,13,18-Hexaazatrinaphthylene Titanium Complexes","Journal of the American Chemical Society","2005","127","","14190","14191","10.1021/ja054740p","","","0.71073","MoKα","","0.0983","0.0457","","","0.0712","0.083","","","","","","0.796","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112021","16.5801","0.0007","15.5185","0.0006","7.8465","0.0003","90","","92.691","0.005","90","","2016.66","0.14","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 Ti -","- C28 H22 N2 Ti -","- C112 H88 N8 Ti4 -","4","1","","Ingmar M. Piglosiewicz; Ruediger Beckhaus; Wolfgang Saak; Detlev Haase","Dehydroaromatization of Quinoxalines: One-Step Syntheses of Trinuclear 1,6,7,12,13,18-Hexaazatrinaphthylene Titanium Complexes","Journal of the American Chemical Society","2005","127","","14190","14191","10.1021/ja054740p","","","0.71073","MoKα","","0.0505","0.029","","","0.0591","0.0634","","","","","","0.902","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112022","12.3147","0.0012","13.5887","0.0014","13.6431","0.0014","95.234","0.005","94.864","0.005","99.746","0.005","2229","0.4","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H54 Co N4 O6 -","- C53 H54 Co N4 O6 -","- C106 H108 Co2 N8 O12 -","2","1","","Giannis S. Papaefstathiou; Tomislav Friščić; Leonard R. MacGillivray","Design and Construction of a 2D Metal Organic Framework with Multiple Cavities: A Nonregular Net with a Paracyclophane that Codes for Multiply Fused Nodes","Journal of the American Chemical Society","2005","127","","14160","14161","10.1021/ja054841n","","","0.7107","MoKα","","0.1959","0.0883","","","0.1762","0.2091","","","","","","0.944","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112023","29.601","0.003","29.601","0.003","3.4496","0.0003","90","","90","","90","","3022.6","0.5","293","2","293","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H25 Ag6 Cl N16 O7 -","- C8 H25.12 Ag6 Cl N16 O7.16 -","- C32 H100.48 Ag24 Cl4 N64 O28.64 -","4","0.125","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.0602","0.0507","","","0.1247","0.1318","","","","","","1.006","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112024","3.4099","0.0002","39.805","0.003","43.607","0.003","90","","90","","90","","5918.8","0.7","103","2","103","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C8 H25 Ag6 Cl N16 O7 -","- C8 H25 Ag6 Cl N16 O7 -","- C64 H200 Ag48 Cl8 N128 O56 -","8","0.25","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.0725","0.0668","","","0.1637","0.1677","","","","","","1.034","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112025","19.598","0.002","19.598","0.002","3.5015","0.0004","90","","90","","90","","1344.9","0.2","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C8 H17 Ag6 Cl N16 O3 -","- C8 H17 Ag6 Cl N16 O3 -","- C16 H34 Ag12 Cl2 N32 O6 -","2","0.25","","Jie-Peng Zhang; Yan-Yong Lin; Wei-Xiong Zhang; Xiao-Ming Chen","Temperature- or Guest-Induced Drastic Single-Crystal-to-Single-Crystal Transformations of a Nanoporous Coordination Polymer","Journal of the American Chemical Society","2005","127","","14162","14163","10.1021/ja054913a","","","0.71073","MoKα","","0.123","0.0879","","","0.2324","0.2493","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112026","40.7","0.1","6.92","0.02","13.13","0.04","90","","107.96","0.04","90","","3518","17","293.1","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C11 H6 Cl2 Fe0.5 O3 S6 -","- C11 H6 Cl2 Fe0.5 O3 S6 -","- C88 H48 Cl16 Fe4 O24 S48 -","8","1","","Hideki Fujiwara; Kenji Wada; Takashi Hiraoka; Toshiki Hayashi; Toyonari Sugimoto; Hiroyuki Nakazumi; Keiichi Yokogawa; Masayasu Teramura; Syuma Yasuzuka; Keizo Murata; Takehiko Mori","Stable Metallic Behavior and Antiferromagnetic Ordering of Fe(III) dSpins in (EDO-TTFVO)2.FeCl4","Journal of the American Chemical Society","2005","127","","14166","14167","10.1021/ja055263d","","","0.7107","MoKα","","","0.059","","","","0.07","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112027","8.441","0.002","11.113","0.003","11.41","0.004","90","","90","","90","","1070.3","0.5","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Hélène Lebel; Kim Huard; Sylvain Lectard","N-Tosyloxycarbamates as a Source of Metal Nitrenes: Rhodium-Catalyzed C-H Insertion and Aziridination Reactions","Journal of the American Chemical Society","2005","127","","14198","14199","10.1021/ja0552850","","","1.54178","CuKα","","0.0336","0.0322","","","0.0932","0.0939","","","","","","1.072","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112028","7.7332","0.0002","19.3491","0.0005","23.5497","0.0006","90","","93.034","0.002","90","","3518.81","0.16","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H21.2 B Cl0.8 F15 N2 O2 Pt -","- C34 H21.2 B Cl0.8 F15 N2 O2 Pt -","- C136 H84.8 B4 Cl3.2 F60 N8 O8 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0735","0.0457","","","0.1175","0.1282","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112029","37.1201","0.0015","7.3349","0.0003","23.0216","0.0009","90","","106.85","0.002","90","","5999","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H13 B F15 N3 O2 Pt -","- C30 H13 B F15 N3 O2 Pt -","- C240 H104 B8 F120 N24 O16 Pt8 -","8","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.063","0.0402","","","0.0943","0.104","","","","","","1.029","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112030","11.3484","0.0004","20.7294","0.0006","27.347","0.0009","90","","95.87","0.001","90","","6399.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H14 B F15 N2 O2 Pt -","- C35 H14 B F15 N2 O2 Pt -","- C280 H112 B8 F120 N16 O16 Pt8 -","8","2","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.1239","0.0599","","","0.1309","0.1557","","","","","","0.994","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112031","8.586","0.0001","17.7719","0.0004","22.8225","0.0006","90","","91.922","0.001","90","","3480.52","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H18 B F15 N2 O2 Pt -","- C37 H18 B F15 N2 O2 Pt -","- C148 H72 B4 F60 N8 O8 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.057","0.0354","","","0.078","0.0846","","","","","","1.026","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112032","8.566","0.0002","17.8544","0.0004","22.6002","0.0006","90","","90.04","0.002","90","","3456.49","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 B F15 N2 O Pt -","- C37 H20 B F15 N2 O Pt -","- C148 H80 B4 F60 N8 O4 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0566","0.0356","","","0.0813","0.0873","","","","","","1.056","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112033","14.6798","0.0005","20.7799","0.0006","25.5737","0.0008","90","","91.802","0.002","90","","7797.3","0.4","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H21 B Cl3 F15 N2 O2 Pt -","- C38.5 H21 B Cl3 F15 N2 O2 Pt -","- C308 H168 B8 Cl24 F120 N16 O16 Pt8 -","8","2","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.1233","0.0605","","","0.138","0.163","","","","","","0.956","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112034","10.4214","0.0003","15.1698","0.0004","22.6241","0.0004","90","","96.695","0.002","90","","3552.27","0.15","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H17 B Cl F15 N2 O3 Pt -","- C36.5 H17 B Cl F15 N2 O3 Pt -","- C146 H68 B4 Cl4 F60 N8 O12 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0499","0.0353","","","0.0845","0.0899","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112035","10.6163","0.0004","15.4527","0.0006","22.3982","0.001","90","","92.257","0.002","90","","3671.6","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H19 B Cl F15 N2 O4 Pt -","- C37.5 H19 B Cl F15 N2 O4 Pt -","- C150 H76 B4 Cl4 F60 N8 O16 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0688","0.0416","","","0.0844","0.0932","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112036","10.4892","0.0003","15.4986","0.0005","22.3102","0.0006","90","","95.735","0.002","90","","3608.77","0.18","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H19 B Cl F15 N2 O3 Pt -","- C37.5 H19 B Cl F15 N2 O3 Pt -","- C150 H76 B4 Cl4 F60 N8 O12 Pt4 -","4","1","","Fenbao Zhang; Christopher W. Kirby; Douglas W. Hairsine; Michael C. Jennings; Richard J. Puddephatt","Activation of C-H Bonds of Arenes: Selectivity and Reactivity in Bis(pyridyl) Platinum(II) Complexes","Journal of the American Chemical Society","2005","127","","14196","14197","10.1021/ja055436z","","","0.71073","MoKα","","0.0858","0.068","","","0.169","0.1842","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112037","22.4394","0.0006","8.6159","0.0004","12.873","0.0003","90","","90","","90","","2488.81","0.15","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H31 F6 O4 P Ru -","- C23 H31 F6 O4 P Ru -","- C92 H124 F24 O16 P4 Ru4 -","4","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","1.54178","CuKα","","0.0402","0.039","","","0.1064","0.1082","","","","","","1.074","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112038","11.779","0.002","19.272","0.006","21.152","0.007","90","","92.46","0.02","90","","4797","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 B Cl4 O4 Ru -","- C51 H59 B Cl4 O4 Ru -","- C204 H236 B4 Cl16 O16 Ru4 -","4","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.1983","0.0975","","","0.2685","0.2227","","","","","","1.027","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112039","18.539","0.002","17.513","0.0019","16.6622","0.0018","90","","90","","90","","5409.8","1","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H35 F3 O7 Ru S -","- C26 H35 F3 O7 Ru S -","- C208 H280 F24 O56 Ru8 S8 -","8","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.0918","0.0814","","","0.1674","0.1714","","","","","","1.365","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112040","8.9763","0.0005","14.51","0.0008","14.7824","0.0008","62.162","0.0011","76.2329","0.001","73.4473","0.0009","1619.42","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 I6 Ru2 -","- C24 H36 I6 Ru2 -","- C48 H72 I12 Ru4 -","2","1","","Christina M. Older; Robert McDonald; Jeffrey M. Stryker","Unprecedented Coordination Modes and Demetalation Pathways for Unbridged Polyenyl Ligands. Ruthenium η1,η4-Cycloheptadienyl Complexes from Allyl/Alkyne Cycloaddition","Journal of the American Chemical Society","2005","127","","14202","14203","10.1021/ja0556023","","","0.71073","MoKα","","0.0445","0.0358","","","0.0881","0.0919","","","","","","0.996","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112041","7.3924","0.0004","9.3336","0.0005","11.8117","0.0007","90","","106.229","0.001","90","","782.51","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CALRP04","","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C34 H34 Br2 O10 -","2","1","","Michael A. Calter; Ryan M. Phillips; Christine Flaschenriem","Catalytic, Asymmetric, ""Interrupted"" Feist-Bénary Reactions","Journal of the American Chemical Society","2005","127","","14566","14567","10.1021/ja055752d","","","0.71073","MoKα","","0.0264","0.0234","","","0.0588","0.0678","","","","","","1.101","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112042","10.4294","0.0016","27.562","0.004","9.3218","0.0013","90","","99.69","0.01","90","","2641.4","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B F4 Os P -","- C28 H34 B F4 Os P -","- C112 H136 B4 F16 Os4 P4 -","4","1","","Charles Edwin Webster; Christopher L. Gross; Dianna M. Young; Gregory S. Girolami; Arthur J. Schultz; Michael B. Hall; Juergen Eckert","Electronic and Steric Effects on Molecular Dihydrogen Activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)","Journal of the American Chemical Society","2005","127","","15091","15101","10.1021/ja052336k","powder diffraction","","","","","","","","","","","","","1.66","","","","","","","has coordinates,has Fobs","178891","2020-10-21","18:00:00",""
"4112043","10.591","0.0016","27.769","0.004","9.292","0.0013","90","","99.61","0.01","90","","2694.4","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 As B F4 Os -","- C28 H34 As B F4 Os -","- C112 H136 As4 B4 F16 Os4 -","4","1","","Charles Edwin Webster; Christopher L. Gross; Dianna M. Young; Gregory S. Girolami; Arthur J. Schultz; Michael B. Hall; Juergen Eckert","Electronic and Steric Effects on Molecular Dihydrogen Activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)","Journal of the American Chemical Society","2005","127","","15091","15101","10.1021/ja052336k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","178891","2020-10-21","18:00:00",""
"4112044","8.8096","0.0016","9.6314","0.0018","17.1441","0.0032","94.185","0.016","90.014","0.015","101.385","0.016","1422.1","0.5","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 B F4 Os P -","- C28 H52 B F4 Os P -","- C56 H104 B2 F8 Os2 P2 -","2","1","","Charles Edwin Webster; Christopher L. Gross; Dianna M. Young; Gregory S. Girolami; Arthur J. Schultz; Michael B. Hall; Juergen Eckert","Electronic and Steric Effects on Molecular Dihydrogen Activation in [Cp*OsH4(L)]+ (L = PPh3, AsPh3, and PCy3)","Journal of the American Chemical Society","2005","127","","15091","15101","10.1021/ja052336k","powder diffraction","","","","","","","","","","","","","1.72","","","","","","","has coordinates,has Fobs","178891","2020-10-21","18:00:00",""
"4112045","8.1786","0.0005","9.1263","0.0005","28.1355","0.0017","90","","91.539","0.001","90","","2099.3","0.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 F3 I Ir P -","- C17.5 H24 F3 I Ir P -","- C70 H96 F12 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","0.71073","MoKα","","0.0409","0.0332","","","0.0847","0.0879","","","","","","1.012","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112046","12.5004","0.0018","13.6655","0.0019","10.2598","0.0015","90","","91.923","0.002","90","","1751.6","0.4","218","2","218","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 F2 I Ir P -","- C14 H25 F2 I Ir P -","- C56 H100 F8 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold","A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium","Journal of the American Chemical Society","2005","127","","15020","15021","10.1021/ja055166k","","","0.71073","MoKα","","0.0299","0.0277","","","0.0745","0.0757","","","","","","1.06","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112047","13.5264","0.0008","13.6093","0.0009","14.2408","0.0008","90","","99.179","0.005","90","","2587.9","0.3","193","2","193","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 N8 P2 -","- C22 H42 N8 P2 -","- C88 H168 N32 P8 -","4","0.5","","Volker Raab; Ekaterina Gauchenova; Alexei Merkoulov; Klaus Harms; Jörg Sundermeyer; Borislav Kovačević; Zvonimir B. Maksić","1,8-Bis(hexamethyltriaminophosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene ""Proton Sponge""","Journal of the American Chemical Society","2005","127","","15738","15743","10.1021/ja052647v","","x-ray","0.71073","MoKα","","0.0367","0.029","","","0.0821","0.0849","","","","","","1.045","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112048","29.5851","0.0017","8.2464","0.0003","25.6284","0.0013","90","","104.096","0.004","90","","6064.3","0.5","193","2","193","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H43 F6 N8 P3 -","- C22 H43 F6 N8 P3 -","- C176 H344 F48 N64 P24 -","8","1","","Volker Raab; Ekaterina Gauchenova; Alexei Merkoulov; Klaus Harms; Jörg Sundermeyer; Borislav Kovačević; Zvonimir B. Maksić","1,8-Bis(hexamethyltriaminophosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene ""Proton Sponge""","Journal of the American Chemical Society","2005","127","","15738","15743","10.1021/ja052647v","","x-ray","0.71069","MoKα","","0.0709","0.0403","","","0.0907","0.0996","","","","","","0.939","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112049","16.804","0.0019","16.7175","0.0019","28.929","0.003","90","","91.455","0.002","90","","8124.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C149 H186 Ce8 O15.25 Se18 -","- C148.856 H185.712 Ce8 O15.214 Se18 -","- C297.712 H371.424 Ce16 O30.428 Se36 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0718","0.0448","","","0.115","0.124","","","","","","1.076","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112050","16.8034","0.0015","16.7324","0.0015","28.875","0.003","90","","91.403","0.002","90","","8116.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C148.96 H185.9 O15.24 Pr8 Se18 -","- C148.952 H185.904 O15.238 Pr8 Se18 -","- C297.904 H371.808 O30.476 Pr16 Se36 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0609","0.0389","","","0.0913","0.0997","","","","","","0.856","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112051","17.126","0.0011","16.9406","0.0011","28.7584","0.0018","90","","91.299","0.001","90","","8341.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H192 Nd8 O16 Se18 -","- C152 H192 Nd8 O16 Se18 -","- C304 H384 Nd16 O32 Se36 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0722","0.0404","","","0.0926","0.1006","","","","","","1.025","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112052","17.883","0.006","21.011","0.007","22.611","0.008","90","","102.181","0.006","90","","8305","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140.9 H169.81 O13.22 Se18 Sm8 -","- C140.904 H169.808 O13.226 Se18 Sm8 -","- C281.808 H339.616 O26.452 Se36 Sm16 -","2","0.5","","Santanu Banerjee; Louise Huebner; Michael D. Romanelli; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan","Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo Ligands and Near-IR Emission from Nd(III)","Journal of the American Chemical Society","2005","127","","15900","15906","10.1021/ja054261q","","","0.71073","MoKα","","0.0638","0.0385","","","0.0958","0.1023","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112053","14.3169","0.0003","21.9313","0.0004","33.613","0.0007","90","","99.536","0.001","90","","10408.2","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.27 H65 Cl5.95 N2 O2.11 P Ru -","- C49.2735 H65 Cl5.948 N2 O2.113 P Ru -","- C394.188 H520 Cl47.584 N16 O16.904 P8 Ru8 -","8","1","","Brandon R. Galan; Milan Gembicky; Paulina M. Dominiak; Jerome B. Keister; Steven T. Diver","Carbon Monoxide-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand: Buchner Reaction in a Ruthenium Carbene Complex","Journal of the American Chemical Society","2005","127","","15702","15703","10.1021/ja0545618","","","0.71073","MoKα","","0.0381","0.0341","","","0.0833","0.0862","","","","","","1.04","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112054","37.7428","0.0008","17.4293","0.0004","14.3941","0.0003","90","","102.792","0.001","90","","9233.9","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C183 H274 Cl8 N8 O13 P4 Ru4 -","- C183 H274 Cl8 N8 O13 P4 Ru4 -","- C366 H548 Cl16 N16 O26 P8 Ru8 -","2","0.25","","Brandon R. Galan; Milan Gembicky; Paulina M. Dominiak; Jerome B. Keister; Steven T. Diver","Carbon Monoxide-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand: Buchner Reaction in a Ruthenium Carbene Complex","Journal of the American Chemical Society","2005","127","","15702","15703","10.1021/ja0545618","","","0.71073","MoKα","","0.0395","0.0294","","","0.0686","0.0749","","","","","","1.106","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112055","7.584","0.0002","10.0367","0.0003","12.1367","0.0004","90","","105.843","0.002","90","","888.73","0.05","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Fe2 N2 -","- C22 H20 Fe2 N2 -","- C44 H40 Fe4 N4 -","2","0.5","","Antonio Caballero; Rosario Martínez; Vega Lloveras; Imma Ratera; José Vidal-Gancedo; Klaus Wurst; Alberto Tárraga; Pedro Molina; Jaume Veciana","Highly Selective Chromogenic and Redox or Fluorescent Sensors of Hg2+ in Aqueous Environment Based on 1,4-Disubstituted Azines","Journal of the American Chemical Society","2005","127","","15666","15667","10.1021/ja0545766","","","0.71073","MoKα","","0.0246","0.0226","","","0.0612","0.0626","","","","","","1.081","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112056","7.9113","0.001","10.7582","0.0016","13.113","0.002","83.553","0.018","79.032","0.017","80.968","0.016","1078.2","0.3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N2 O4.5 -","- C24 H16 N2 O4.5 -","- C48 H32 N4 O9 -","2","1","","Julien Leclaire; Rodolphe Dagiral; Suzanne Fery-Forgues; Yannick Coppel; Bruno Donnadieu; Anne-Marie Caminade; Jean-Pierre Majoral","Octasubstituted Metal-Free Phthalocyanine as Core of Phosphorus Dendrimers: A Probe for the Properties of the Internal Structure","Journal of the American Chemical Society","2005","127","","15762","15770","10.1021/ja054797b","","","0.71073","MoKα","","0.0961","0.058","","","0.1551","0.1752","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112057","9.0468","0.0014","10.5152","0.0016","10.7334","0.0016","110.064","0.002","95.696","0.003","91.331","0.003","952.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","04108","","","- C38 H30 F6 Fe N6 O8 S2 -","- C38 H30 F6 Fe N6 O8 S2 -","- C38 H30 F6 Fe N6 O8 S2 -","1","0.5","","Paul D. Oldenburg; Albert A. Shteinman; Lawrence Que","Iron-Catalyzed Olefincis-Dihydroxylation Using a Bio-Inspired N,N,O-Ligand","Journal of the American Chemical Society","2005","127","","15672","15673","10.1021/ja054947i","","","0.71073","MoKα","","0.0534","0.0406","","","0.08","0.0842","","","","","","1","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112058","19.388","0.006","7.897","0.002","24.479","0.009","90","","91.407","0.01","90","","3747","2","105","","105","","","","","","","","local laboratory","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H15 O7.5 -","- C23.5 H12 O7.5 -","- C188 H96 O60 -","8","1","","Weihua Wang; Oleksandr Rusin; Xiangyang Xu; Kyu Kwang Kim; Jorge O. Escobedo; Sayo O. Fakayode; Kristin A. Fletcher; Mark Lowry; Corin M. Schowalter; Candace M. Lawrence; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","Detection of Homocysteine and Cysteine","Journal of the American Chemical Society","2005","127","","15949","15958","10.1021/ja054962n","","","0.71073","MoKα","","0.12","0.058","","","0.119","0.141","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112059","7.891","0.006","21.304","0.015","9.977","0.008","90","","104.8","0.03","90","","1622","2","105","","105","","","","","","","","local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 O6 -","- C21 H12 O6 -","- C84 H48 O24 -","4","1","","Weihua Wang; Oleksandr Rusin; Xiangyang Xu; Kyu Kwang Kim; Jorge O. Escobedo; Sayo O. Fakayode; Kristin A. Fletcher; Mark Lowry; Corin M. Schowalter; Candace M. Lawrence; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin","Detection of Homocysteine and Cysteine","Journal of the American Chemical Society","2005","127","","15949","15958","10.1021/ja054962n","","","0.71073","MoKα","","0.235","0.088","","","0.202","0.269","","","","","","0.966","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112060","25.478","0.003","25.873","0.003","26.538","0.003","90","","90","","90","","17494","4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(CB8)2*(ADMHM)2*(I,Cl)4*34H2O","(CB8)2*(ADMHM)2*(I,Cl)4*34H2O","","- C128 H231.26 Cl0.67 I3.33 N68 O66.3 -","- C128 H160 Cl0.668 I3.332 N68 O66.631 -","- C512 H640 Cl2.672 I13.328 N272 O266.524 -","4","1","","Simin Liu; Christian Ruspic; Pritam Mukhopadhyay; Sriparna Chakrabarti; Peter Y. Zavalij; Lyle Isaacs","The Cucurbit[n]uril Family: Prime Components for Self-Sorting Systems","Journal of the American Chemical Society","2005","127","","15959","15967","10.1021/ja055013x","","","0.71073","MoKα","","0.1367","0.0862","","","0.1937","0.2111","","","","","","1.001","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112061","12.516","0.0012","27.964","0.003","25.423","0.002","90","","90","","90","","8898","1.5","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","CB8 diammonium diodide hydrate","CB8 diammonium diodide hydrate","","- C65 H96.54 I2.41 N39 O30.56 -","- C65 H69 I2.4095 N39 O30.5613 -","- C260 H276 I9.638 N156 O122.245 -","4","1","","Simin Liu; Christian Ruspic; Pritam Mukhopadhyay; Sriparna Chakrabarti; Peter Y. Zavalij; Lyle Isaacs","The Cucurbit[n]uril Family: Prime Components for Self-Sorting Systems","Journal of the American Chemical Society","2005","127","","15959","15967","10.1021/ja055013x","","","0.71073","MoKα","","0.09","0.0638","","","0.138","0.1481","","","","","","1","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112062","7.8092","0.0012","10.3674","0.0006","15.709","0.003","90","","90.967","0.012","90","","1271.6","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Co S -","- C7 H16 B9 Co S -","- C28 H64 B36 Co4 S4 -","4","2","","José Giner Planas; Clara Viñas; Francesc Teixidor; Aleix Comas-Vives; Gregori Ujaque; Agustí Lledós; Mark E. Light; Michael B. Hursthouse","Self-Assembly of Mercaptane-Metallacarborane Complexes by an Unconventional Cooperative Effect: A C-H...S-H...H-B Hydrogen/Dihydrogen Bond Interaction","Journal of the American Chemical Society","2005","127","","15976","15982","10.1021/ja055210w","","","0.71073","MoKα","","0.0531","0.0425","","","0.0966","0.1023","","","","","","1.02","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112063","9.4347","0.0008","32.551","0.003","28.94","0.002","90","","90","","90","","8887.7","1.3","129","2","129","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C100 H108 Cu4 N8 O12 -","- C100 H108 Cu4 N8 O12 -","- C400 H432 Cu16 N32 O48 -","4","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0838","0.0423","","","0.0946","0.1163","","","","","","1.022","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112064","8.1841","0.0017","20.087","0.004","12.03","0.003","90","","93.02","0.02","90","","1974.9","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Br2 Cu2 N4 -","- C46 H44 Br2 Cu2 N4 -","- C92 H88 Br4 Cu4 N8 -","2","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0426","0.0295","","","0.0717","0.0784","","","","","","0.992","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112065","8.2608","0.0013","18.579","0.003","13.608","0.003","90","","106.838","0.011","90","","1999","0.6","122","2","122","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Cu2 N6 O4 -","- C46 H44 Cu2 N6 O4 -","- C92 H88 Cu4 N12 O8 -","2","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0503","0.0324","","","0.0802","0.0901","","","","","","1.066","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112066","10.2378","0.0008","17.8484","0.0014","14.2634","0.0011","90","","109.865","0.002","90","","2451.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Cl4 Cu2 N6 -","- C52 H60 Cl4 Cu2 N6 -","- C104 H120 Cl8 Cu4 N12 -","2","0.5","","Xuan Jiang; John C. Bollinger; Dongwhan Lee","How Bulky Is a Bulky Ligand: Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly","Journal of the American Chemical Society","2005","127","","15678","15679","10.1021/ja055225u","","","0.71073","MoKα","","0.0378","0.0311","","","0.0793","0.0884","","","","","","1.097","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112067","5.4034","0.0001","8.6305","0.0003","26.9086","0.0008","90","","90","","90","","1254.86","0.06","120","1","120","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O S -","- C13 H20 O S -","- C52 H80 O4 S4 -","4","1","","Mauro Marigo; Tobias Schulte; Johan Franzén; Karl Anker Jørgensen","Asymmetric Multicomponent Domino Reactions and Highly Enantioselective Conjugated Addition of Thiols to α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2005","127","","15710","15711","10.1021/ja055291w","","x-ray","0.71073","MoKα","","0.0435","0.0321","","","0.0671","0.0713","","","","","","0.985","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112068","10.031","0.004","11.74","0.005","14.711","0.007","103.3","0.02","103.09","0.02","111.77","0.01","1469.6","1.2","296.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H45 B Cl N Ni O P2 -","- C24 H45 B Cl N Ni O P2 -","- C48 H90 B2 Cl2 N2 Ni2 O2 P4 -","2","1","","Akihiko Yamamoto; Michinori Suginome","Nickel-Catalyzedtrans-Alkynylboration of Alkynes via Activation of a Boron-Chlorine Bond","Journal of the American Chemical Society","2005","127","","15706","15707","10.1021/ja055396z","","","0.7107","MoKα","","","0.028","","","","0.032","","","","","","2.297","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112069","7.6761","0.0017","15.565","0.003","8.0602","0.0017","90","","90","","90","","963","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.82 Ge4 La1.18 -","- Ca3.82 Ge4 La1.18 -","- Ca15.28 Ge16 La4.72 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0781","0.0664","","","0.1178","0.1221","","","","","","1.235","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112070","7.673","0.0008","15.5512","0.0017","8.0813","0.0009","90","","90","","90","","964.3","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.66 Ge3 La1.34 -","- Ca3.656 Ge4 La1.344 -","- Ca14.624 Ge16 La5.376 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0336","0.0331","","","0.0683","0.0684","","","","","","1.429","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112071","7.669","0.002","15.525","0.004","8.084","0.002","90","","90","","90","","962.5","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.37 Ge4 La1.63 -","- Ca3.368 Ge4 La1.632 -","- Ca13.472 Ge16 La6.528 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0478","0.0468","","","0.1037","0.1042","","","","","","1.367","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112072","7.6358","0.0006","15.4222","0.0011","8.0475","0.0006","90","","90","","90","","947.68","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca1.74 Ce3.26 Ge4 -","- Ca3.26 Ce1.74 Ge4 -","- Ca13.04 Ce6.96 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0217","0.0207","","","0.042","0.0425","","","","","","1.341","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112073","7.6424","0.0009","15.4218","0.0019","8.0494","0.001","90","","90","","90","","948.7","0.2","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3.2 Ce1.8 Ge4 -","- Ca3.202 Ce1.798 Ge4 -","- Ca12.808 Ce7.192 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0252","0.0233","","","0.0458","0.0467","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112074","7.6453","0.001","15.423","0.002","8.0632","0.0011","90","","90","","90","","950.8","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 Ce2 Ge4 -","- Ca3.006 Ce1.994 Ge4 -","- Ca12.024 Ce7.976 Ge16 -","4","0.5","","Li-Ming Wu; Sang-Hwan Kim; Dong-Kyun Seo","Electron-Precise/Deficient La5-xCaxGe4 (3.4 <= x <= 3.8) and Ce5-xCaxGe4 (3.0 <= x <= 3.3): Probing Low-Valence Electron Concentrations in Metal-Rich Gd5Si4- type Germanides","Journal of the American Chemical Society","2005","127","","15682","15683","10.1021/ja055568s","","","0.71073","MoKα","","0.0191","0.019","","","0.042","0.042","","","","","","1.393","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112075","8.101","0.004","23.939","0.012","7.943","0.004","90","","103.897","0.01","90","","1495.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Yibin Zeng; Jeffrey Aubé","An Expeditious Total Synthesis of (\±)-Stenine","Journal of the American Chemical Society","2005","127","","15712","15713","10.1021/ja055629m","","","0.71073","MoKα","","0.1136","0.0999","","","0.2498","0.2569","","","","","","1.068","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112076","9.6021","0.0008","26.5918","0.0015","16.0383","0.0011","90","","101.673","0.009","90","","4010.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H66 Ca2 -","- C42 H66 Ca2 -","- C168 H264 Ca8 -","4","1","","Marc D. Walter; Gotthelf Wolmershäuser; Helmut Sitzmann","Calcium, Strontium, Barium, and Ytterbium Complexes with Cyclooctatetraenyl or Cyclononatetraenyl Ligands1","Journal of the American Chemical Society","2005","127","","17494","17503","10.1021/ja0550071","","","0.71073","MoKα","","0.0935","0.0454","","","0.1028","0.1149","","","","","","0.838","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112077","12.721","0.005","12.151","0.005","10.959","0.004","90","","90","","90","","1694","1.1","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H18 N2 Ni O4 S2 W -","- C13 H18 N2 Ni O4 S2 W -","- C52 H72 N8 Ni4 O16 S8 W4 -","4","0.5","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.08","0.0719","","","0.1781","0.1842","","","","","","1.099","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112078","7.2847","0.0012","13.392","0.002","20.266","0.003","90","","91.712","0.003","90","","1976.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 Ni O5 S2 W -","- C15 H20 N2 Ni O5 S2 W -","- C60 H80 N8 Ni4 O20 S8 W4 -","4","1","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.1004","0.0626","","","0.1404","0.1559","","","","","","0.929","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112079","18.3245","0.0011","12.7484","0.0007","20.575","0.0012","90","","90","","90","","4806.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C136 H224 Cl16 N16 Ni8 O32 S16 W8 -","8","1","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.0701","0.049","","","0.1078","0.1151","","","","","","0.992","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112080","13.397","0.004","12.386","0.004","11.005","0.003","90","","90","","90","","1826.1","0.9","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H20 N2 Ni O4 S2 W -","- C14 H20 N2 Ni O4 S2 W -","- C56 H80 N8 Ni4 O16 S8 W4 -","4","0.5","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.0279","0.0271","","","0.0598","0.0603","","","","","","1.117","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112081","14.1334","0.0004","14.1334","0.0004","43.546","0.003","90","","90","","90","","8698.4","0.7","162.2","","","","","","","","","","","8","P 43","P 4cw","78","","","","- C78 H102 Cl6 F6 O14 P2 Pd S2 -","- C78 H102 Cl5.99 F6 O14 P2 Pd S2 -","- C312 H408 Cl23.96 F24 O56 P8 Pd4 S8 -","4","1","","Britton K. Corkey; F. Dean Toste","Catalytic Enantioselective Conia-Ene Reaction","Journal of the American Chemical Society","2005","127","","17168","17169","10.1021/ja055059q","","","0.7107","MoKα","","0.0699","0.033","","0.036","","0.0305","","","","","","0.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112082","22.784","0.002","22.806","0.002","10.395","0.001","90","","95.199","0.004","90","","5379.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 Mo2 O10 -","- C68 H52 Mo2 O10 -","- C272 H208 Mo8 O40 -","4","1","","Matthew J. Byrnes; Malcolm H. Chisholm; Judith A. Gallucci; Yao Liu; Ramkrishna Ramnauth; Claudia Turro","Observation of 1MLCT and 3MLCT Excited States in Quadruply Bonded Mo2 and W2 Complexes","Journal of the American Chemical Society","2005","127","","17343","17352","10.1021/ja055136h","","","0.71073","MoKα","","0.0521","0.0319","","0.0802","","0.0724","","","1.015","","","1.061","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112083","27.751","0.006","14.957","0.003","15.518","0.003","90","","113.8","0.03","90","","5893","2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cl4 Mn4 N6 O28 -","- C36 H36 Cl4 Mn4 N6 O28 -","- C144 H144 Cl16 Mn16 N24 O112 -","4","0.5","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.2707","0.1265","","","0.3246","0.4166","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112084","10.084","0.002","11.692","0.002","12.112","0.002","78.2","0.03","84.4","0.03","67.7","0.03","1293","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl2 Mn4 N8 O26 -","- C36 H48 Cl2 Mn4 N8 O26 -","- C36 H48 Cl2 Mn4 N8 O26 -","1","0.5","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.1431","0.0681","","","0.1574","0.1987","","","","","","0.984","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112085","14.28","0.003","15.327","0.003","14.611","0.003","90","","100.33","0.03","90","","3146.1","1.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 Cl4 Mn4 N10 O24 -","- C52 H56 Cl4 Mn4 N10 O24 -","- C104 H112 Cl8 Mn8 N20 O48 -","2","0.5","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.1521","0.0545","","","0.0936","0.1186","","","","","","0.951","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112086","10.53","0.002","16.06","0.003","13.26","0.003","90","","102.79","0.03","90","","2186.8","0.8","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl Mn2 N6 O7 -","- C18 H18 Cl Mn2 N6 O7 -","- C72 H72 Cl4 Mn8 N24 O28 -","4","1","","Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac","Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets","Journal of the American Chemical Society","2005","127","","17353","17363","10.1021/ja0551685","","","0.71073","MoKα","","0.1346","0.054","","","0.1242","0.1814","","","","","","1.049","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112087","8.966","0.0013","8.966","0.0013","25.244","0.005","90","","90","","90","","2029.3","0.6","120","2","","","","","","","","","","6","I 4/m","-I 4","87","","","","- As20 B16 Cl10 Cs6 H16 O80 -","- As20 B16 Cl10 Cs6 H16 O80 -","- As20 B16 Cl10 Cs6 H16 O80 -","1","0.0625","","Seth B. Wiggin; Mark T. Weller","Boroarsenates: A Framework Motif and Family Templated on Cations and Anions","Journal of the American Chemical Society","2005","127","","17172","17173","10.1021/ja055262l","","","0.71073","MoKα","","","0.0451","","","","0.1208","","","","","","1.082","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112088","7.3568","0.0005","7.3568","0.0005","15.4671","0.001","90","","90","","90","","837.12","0.1","120","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- As2 B H K2 O8 -","- As2 B H K2 O8 -","- As8 B4 H4 K8 O32 -","4","0.5","","Seth B. Wiggin; Mark T. Weller","Boroarsenates: A Framework Motif and Family Templated on Cations and Anions","Journal of the American Chemical Society","2005","127","","17172","17173","10.1021/ja055262l","","","0.71073","MoKα","","","0.0542","","","","0.1556","","","","","","1.181","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112089","14.868","0.006","18.065","0.007","22.078","0.009","90","","104.633","0.009","90","","5738","4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Dipp*Ge(OH)(μ-OO)(μ-O)Ge(OH)Dipp*].0.5hexane","","","- C63 H83 Ge2 O5 -","- C63 H82 Ge2 O5 -","- C252 H328 Ge8 O20 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1815","0.0907","","","0.2006","0.262","","","","","","0.953","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112090","19.3869","0.0009","29.4879","0.0013","25.0943","0.0011","90","","102.057","0.001","90","","14029.4","1.1","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C147 H170.5 Ge4 N12 O2.25 -","- C147.04 H170.6 Ge4 N12 O2.26 -","- C588.16 H682.4 Ge16 N48 O9.04 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1017","0.0633","","","0.1647","0.1814","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112091","21.694","0.004","18.392","0.004","32.292","0.007","90","","96.47","0.03","90","","12802","5","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Dipp*Sn(N-SiMe3)SnDipp*.0.5n-hexane","","","- C66 H90 N Si Sn2 -","- C66 H90 N Si Sn2 -","- C528 H720 N8 Si8 Sn16 -","8","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1207","0.0577","","","0.1433","0.1736","","","","","","1.023","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112092","11.9584","0.0019","27.587","0.005","20.622","0.003","90","","90.114","0.007","90","","6803.1","1.9","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","[Dipp*SnNPh]2.hexane","","","- C78 H98 N2 Sn2 -","- C78 H98 N2 Sn2 -","- C312 H392 N8 Sn8 -","4","2","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0328","0.0281","","","0.0608","0.0631","","","","","","0.989","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112093","13.089","0.0017","14.2078","0.0017","21.234","0.003","93.795","0.003","91.656","0.003","115.63","0.003","3545.2","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","Dipp*Ge(PhCNNCPh)GeDipp*.0.65PhCN.0.35MeCyclopentane.0.5Et2O","","","- C83.65 H98.45 Ge2 N2.65 -","- C83.65 H98.45 Ge2 N2.65 -","- C167.3 H196.9 Ge4 N5.3 -","2","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0753","0.0468","","","0.1155","0.1317","","","","","","1.019","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112094","20.743","0.004","12.008","0.002","27.095","0.005","90","","90","","90","","6749","2","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","[Dipp*Ge(PhNNPh)GeDipp*].n-hexane","","","- C78 H98 Ge2 N2 -","- C78 H98 Ge2 N2 -","- C312 H392 Ge8 N8 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","1.54178","CuKα","","0.0384","0.0328","","","0.075","0.0779","","","","","","1.026","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112095","14.585","0.003","18.3","0.004","24.129","0.005","90","","90.03","0.03","90","","6440","2","91","2","91","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dipp*GeGe(CNt-Bu)Dipp*.n-hexane","","","- C71 H96 Ge2 N -","- C71 H96 Ge2 N -","- C284 H384 Ge8 N4 -","4","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.114","0.0828","","","0.1835","0.1961","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112096","12.8515","0.0009","14.9117","0.0011","20.4565","0.0015","80.746","0.003","80.117","0.003","83.322","0.004","3795.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Dipp*Ge(CHSiMe3)(n2CHSiMe3)2GeDipp*.n-hexane","","","- C78 H118 Ge2 N4 Si3 -","- C78 H118 Ge2 N4 Si3 -","- C156 H236 Ge4 N8 Si6 -","2","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0514","0.0356","","","0.0853","0.0937","","","","","","1.023","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112097","13.7999","0.0008","15.1927","0.0009","20.3401","0.0012","87.368","0.001","79.496","0.001","66.618","0.001","3847","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H104 Ge2 O -","- C96 H104 Ge2 O -","- C192 H208 Ge4 O2 -","2","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.0703","0.0425","","","0.1023","0.1119","","","","","","0.99","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112098","11.4183","0.0008","20.7335","0.0015","21.8982","0.0016","90","","95.899","0.001","90","","5156.8","0.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.5 H10 Br La O4 S5 -","- C91.5 H10 Br La O4 S5 -","- C366 H40 Br4 La4 O16 S20 -","4","1","","Lai Feng; Tsukasa Nakahodo; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Ernst Horn; Kenji Yoza; Naomi Mizorogi; Shigeru Nagase","A Singly Bonded Derivative of Endohedral Metallofullerene: La@C82CBr(COOC2H5)2","Journal of the American Chemical Society","2005","127","","17136","17137","10.1021/ja055484j","","","0.71069","MoKα","","0.1109","0.0784","","","0.1901","0.2087","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112099","27.231","0.0002","6.827","0.0003","16.97","0.0006","90","","90","","90","","3154.83","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Frédéric Liéby-Muller; Thierry Constantieux; Jean Rodriguez","Multicomponent Domino Reaction from β-Ketoamides: Highly Efficient Access to Original Polyfunctionalized 2,6-Diazabicyclo[2.2.2]octane Cores","Journal of the American Chemical Society","2005","127","","17176","17177","10.1021/ja055885z","","","0.71073","MoKα","","0.0599","0.0482","","","0.1398","0.1539","","","","","","1.011","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112100","23.698","0.003","14.5","0.002","43.921","0.005","90","","98.74","0.005","90","","14917","3","143","2","143","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","[K(thf)6][H2C60Ph5]_K(H2C60Ph5)(thf)3_(THF)3","","- C114 H74.6 K O6 -","- C114 H74.6 K O6 -","- C912 H596.8 K8 O48 -","8","1","","Yutaka Matsuo; Hiroyuki Isobe; Takatsugu Tanaka; Yasujiro Murata; Michihisa Murata; Koichi Komatsu; Eiichi Nakamura","Organic and Organometallic Derivatives of Dihydrogen-Encapsulated [60]Fullerene","Journal of the American Chemical Society","2005","127","","17148","17149","10.1021/ja056077a","","x-ray","0.71073","MoKα","","0.2623","0.1348","","","0.342","0.4264","","","","","","1.163","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112101","15.167","0.0014","17.366","0.0015","20.553","0.0008","90","","90","","90","","5413.5","0.7","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","H2FeC60Ph5Cp","","- C96 H31.6 Fe S2 -","- C96 H31.6 Fe S2 -","- C384 H126.4 Fe4 S8 -","4","1","","Yutaka Matsuo; Hiroyuki Isobe; Takatsugu Tanaka; Yasujiro Murata; Michihisa Murata; Koichi Komatsu; Eiichi Nakamura","Organic and Organometallic Derivatives of Dihydrogen-Encapsulated [60]Fullerene","Journal of the American Chemical Society","2005","127","","17148","17149","10.1021/ja056077a","","x-ray","0.71073","MoKα","","0.0743","0.0652","","","0.1661","0.1765","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112102","10.727","0.006","12.871","0.007","16.3","0.009","90","","98.068","0.01","90","","2228","2","213","2","213","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C49 H65 Al N3 -","- C49 H65 Al N3 -","- C98 H130 Al2 N6 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Quinten Knijnenburg; Bas de Bruin; Peter H. M. Budzelaar","Formation of a Paramagnetic Al Complex and Extrusion of Fe during the Reaction of (Diiminepyridine)Fe with AlR3 (R = Me, Et)","Journal of the American Chemical Society","2005","127","","17204","17206","10.1021/ja056135s","","","0.71073","MoKα","","0.1492","0.0758","","","0.136","0.1612","","","","","","1.04","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112103","10.676","0.004","19.708","0.007","21.15","0.007","82.262","0.006","89.088","0.006","87.984","0.006","4406","3","207","2","207","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H132 Al4 Cl2 Fe2 N6 -","- C92 H132 Al4 Cl2 Fe2 N6 -","- C184 H264 Al8 Cl4 Fe4 N12 -","2","1","","Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Quinten Knijnenburg; Bas de Bruin; Peter H. M. Budzelaar","Formation of a Paramagnetic Al Complex and Extrusion of Fe during the Reaction of (Diiminepyridine)Fe with AlR3 (R = Me, Et)","Journal of the American Chemical Society","2005","127","","17204","17206","10.1021/ja056135s","","","0.71073","MoKα","","0.1016","0.0673","","","0.166","0.188","","","","","","1.013","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112104","14.035","0.005","14.625","0.005","21.424","0.005","90","","90","","90","","4398","2","243","2","243","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C20 H27 Cu N3 O9 -","- C20 H17 Cu N3 O9 -","- C160 H136 Cu8 N24 O72 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0552","0.0525","","","0.1553","0.158","","","","","","1.083","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112105","13.732","0.005","13.721","0.005","20.397","0.005","90","","90","","90","","3843","2","373","2","373","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H34 Cu2 N6 O8 -","- C40 H34 Cu2 N6 O8 -","- C160 H136 Cu8 N24 O32 -","4","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0917","0.0559","","","0.1466","0.1647","","","","","","1.021","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112106","13.8882","0.001","14.6592","0.0012","21.181","0.004","90","","90","","90","","4312.2","0.9","243","2","243","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H23 Cu N3 O7 -","- C20 H17 Cu N3 O7 -","- C160 H136 Cu8 N24 O56 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0834","0.0542","","","0.118","0.1332","","","","","","1.069","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112107","13.9126","0.001","15.0856","0.0013","21.6595","0.0018","90","","90","","90","","4545.9","0.6","193","2","193","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C22 H17 Cu N3 O8 -","- C22 H17 Cu N3 O8 -","- C176 H136 Cu8 N24 O64 -","8","1","","Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa","Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation","Journal of the American Chemical Society","2005","127","","17152","17153","10.1021/ja0561439","","","0.71069","MoKα","","0.0749","0.0585","","","0.1063","0.1121","","","","","","1.139","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112108","15.221","0.0006","27.188","0.001","12.4654","0.0004","90","","90.0265","0.0006","90","","5158.5","0.3","298.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Br O -","- C17 H24 Br O -","- C204 H288 Br12 O12 -","12","3","","Tamotsu Takahashi; Yuichi Kuzuba; Fanzhi Kong; Kiyohiko Nakajima; Zhenfeng Xi","Formation of Indene Derivatives from Bis(cyclopentadienyl)titanacyclopentadienes with Alkyl Group Migration via Carbon-Carbon Bond Cleavage","Journal of the American Chemical Society","2005","127","","17188","17189","10.1021/ja0561789","","","0.7107","MoKα","","","0.0644","","","","0.0767","","","","","","1.556","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112109","11.5868","0.0002","14.0426","0.0004","23.9382","0.0005","90","","101.095","0.0015","90","","3822.16","0.15","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Cl N4 Ni O7 -","- C45 H37 Cl N4 Ni O7 -","- C180 H148 Cl4 N16 Ni4 O28 -","4","1","","Ewa Szajna; Atta M. Arif; Lisa M. Berreau","Aliphatic Carbon-Carbon Bond Cleavage Reactivity of a Mononuclear Ni(II)cis-β-Keto-Enolate Complex in the Presence of Base and O2: A Model Reaction for Acireductone Dioxygenase (ARD)","Journal of the American Chemical Society","2005","127","","17186","17187","10.1021/ja056346x","","","0.71073","MoKα","","0.0968","0.052","","","0.1097","0.1326","","","","","","1.016","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112110","23.4007","0.0004","14.6593","0.0003","24.5593","0.0003","90","","106.901","0.001","90","","8060.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H40 Cl2 N4 Ni O5 -","- C45 H40 Cl2 N4 Ni O5 -","- C360 H320 Cl16 N32 Ni8 O40 -","8","2","","Ewa Szajna; Atta M. Arif; Lisa M. Berreau","Aliphatic Carbon-Carbon Bond Cleavage Reactivity of a Mononuclear Ni(II)cis-β-Keto-Enolate Complex in the Presence of Base and O2: A Model Reaction for Acireductone Dioxygenase (ARD)","Journal of the American Chemical Society","2005","127","","17186","17187","10.1021/ja056346x","","","0.71073","MoKα","","0.0961","0.0665","","","0.1771","0.1999","","","","","","1.038","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112111","10.9221","0.0014","24.52","0.003","14.4271","0.0018","90","","107.785","0.004","90","","3679.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 B Cu N2 O2 -","- C36 H55 B Cu N2 O2 -","- C144 H220 B4 Cu4 N8 O8 -","4","1","","David S. Laitar; Peter Müller; Joseph P. Sadighi","Efficient Homogeneous Catalysis in the Reduction of CO2 to CO","Journal of the American Chemical Society","2005","127","","17196","17197","10.1021/ja0566679","","","0.71073","MoKα","","0.0582","0.0488","","","0.1288","0.1344","","","","","","1.054","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112112","10.5264","0.0019","14.999","0.003","25.09","0.004","90","","90.035","0.005","90","","3961.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B Cu N2 O3 -","- C40 H56 B Cu N2 O3 -","- C160 H224 B4 Cu4 N8 O12 -","4","1","","David S. Laitar; Peter Müller; Joseph P. Sadighi","Efficient Homogeneous Catalysis in the Reduction of CO2 to CO","Journal of the American Chemical Society","2005","127","","17196","17197","10.1021/ja0566679","","","0.71073","MoKα","","0.0552","0.0454","","","0.1015","0.1063","","","","","","1.024","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112113","12.301","0.003","14.652","0.004","20.832","0.006","80.921","0.007","83.41","0.008","72.137","0.006","3520.1","1.6","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C77 H102 O6 Zr2 -","- C77 H70 O6 Zr2 -","- C154 H140 O12 Zr4 -","2","1","","Tsukasa Matsuo; Hiroyuki Kawaguchi","A Synthetic Cycle for H2/CO Activation and Allene Synthesis Using Recyclable Zirconium Complexes","Journal of the American Chemical Society","2005","127","","17198","17199","10.1021/ja0567079","","","0.7107","MoKα","","","0.068","","","","0.161","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112114","11.222","0.002","11.981","0.002","19.807","0.004","90","","90","","90","","2663.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H45 N10 P -","- C19 H45 N10 P -","- C76 H180 N40 P4 -","4","1","","Alexander A. Kolomeitsev; Ilmar A. Koppel; Toomas Rodima; Jan Barten; Enno Lork; Gerd-Volker Röschenthaler; Ivari Kaljurand; Agnes Kütt; Ivar Koppel; Vahur Mäemets; Ivo Leito","Guanidinophosphazenes: Design, Synthesis, and Basicity in THF and in the Gas Phase","Journal of the American Chemical Society","2005","127","","17656","17666","10.1021/ja053543n","","","0.71073","MoKα","","0.05","0.0403","","","0.099","0.1048","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112115","12.923","0.002","28.409","0.003","16.285","0.002","90","","107.71","0.01","90","","5695.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H46 B F4 N10 P -","- C19 H46 B F4 N10 P -","- C152 H368 B8 F32 N80 P8 -","8","2","","Alexander A. Kolomeitsev; Ilmar A. Koppel; Toomas Rodima; Jan Barten; Enno Lork; Gerd-Volker Röschenthaler; Ivari Kaljurand; Agnes Kütt; Ivar Koppel; Vahur Mäemets; Ivo Leito","Guanidinophosphazenes: Design, Synthesis, and Basicity in THF and in the Gas Phase","Journal of the American Chemical Society","2005","127","","17656","17666","10.1021/ja053543n","","","0.71073","MoKα","","0.0977","0.065","","","0.1674","0.1908","","","","","","1.026","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112116","11.2557","0.0008","16.854","0.001","29.162","0.002","90","","91.056","0.001","90","","5531.2","0.6","294","1","294","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C272 H248 N8 O32 -","8","2","","Dirk Pijper; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Acceleration of a Nanomotor: Electronic Control of the Rotary Speed of a Light-Driven Molecular Rotor","Journal of the American Chemical Society","2005","127","","17612","17613","10.1021/ja054499e","","","0.71073","MoKα","","0.1502","0.0679","","","0.1614","0.1921","","","","","","0.939","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112117","11.7557","0.0005","10.2852","0.0004","15.3256","0.0006","90","","91.12","0.001","90","","1852.66","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H41 Co Fe4 -","- C49 H41 Co Fe4 -","- C98 H82 Co2 Fe8 -","2","1","","Jieying Jiao; Gary J. Long; Leila Rebbouh; Fernande Grandjean; Alicia M. Beatty; Thomas P. Fehlner","Properties of a Mixed-Valence (FeII)2(FeIII)2 Square Cell for Utilization in the Quantum Cellular Automata Paradigm for Molecular Electronics","Journal of the American Chemical Society","2005","127","","17819","17831","10.1021/ja0550935","","","0.71073","MoKα","","0.0189","0.0184","","","0.0434","0.0435","","","","","","1.031","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112118","12.7388","0.0008","14.1919","0.0008","22.0301","0.0013","90","","90","","90","","3982.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H41 Co F6 Fe4 P -","- C49 H41 Co F6 Fe4 P -","- C196 H164 Co4 F24 Fe16 P4 -","4","0.5","","Jieying Jiao; Gary J. Long; Leila Rebbouh; Fernande Grandjean; Alicia M. Beatty; Thomas P. Fehlner","Properties of a Mixed-Valence (FeII)2(FeIII)2 Square Cell for Utilization in the Quantum Cellular Automata Paradigm for Molecular Electronics","Journal of the American Chemical Society","2005","127","","17819","17831","10.1021/ja0550935","","","0.71073","MoKα","","0.056","0.0448","","","0.0932","0.0976","","","","","","1.209","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112119","14.8322","0.0009","9.4259","0.0006","21.679","0.0014","90","0.002","105.377","0.0017","90","0.002","2922.4","0.3","20","1","20","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ru(H)2(eta2-H2)2[P(C5H27)3]2","","","- C30 H60 P2 Ru -","- C30 H60 P2 Ru -","- C120 H240 P8 Ru4 -","4","1","","Mary Grellier; Laure Vendier; Bruno Chaudret; Alberto Albinati; Silvia Rizzato; Sax Mason; Sylviane Sabo-Etienne","Synthesis, Neutron Structure, and Reactivity of the Bis(dihydrogen) Complex RuH2(η2-H2)2(PCyp3)2 Stabilized by Two Tricyclopentylphosphines","Journal of the American Chemical Society","2005","127","","17592","17593","10.1021/ja055126g","","neutron","1.316","neutron","","0.0779","0.0521","","","0.1207","0.144","","","","","","1.07","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112120","14.9282","0.0016","9.458","0.0007","21.713","0.002","90","","105.139","0.013","90","","2959.3","0.5","100","","100","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 P2 Ru -","- C30 H60 P2 Ru -","- C120 H240 P8 Ru4 -","4","1","","Mary Grellier; Laure Vendier; Bruno Chaudret; Alberto Albinati; Silvia Rizzato; Sax Mason; Sylviane Sabo-Etienne","Synthesis, Neutron Structure, and Reactivity of the Bis(dihydrogen) Complex RuH2(η2-H2)2(PCyp3)2 Stabilized by Two Tricyclopentylphosphines","Journal of the American Chemical Society","2005","127","","17592","17593","10.1021/ja055126g","","","0.71073","MoKα","","0.0275","0.0255","","","0.0668","0.07","","","","","","1.064","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112121","20.066","0.004","40.221","0.007","67.924","0.013","90","","90","","90","","54820","18","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C144 H88 As2 B12 N12 O24.8 -","- C144 H88 As2 B12 N12 O24.8 -","- C2304 H1408 As32 B192 N192 O396.8 -","16","0.5","","Tiejun Li; Satish S. Jalisatgi; Michael J. Bayer; Andreas Maderna; Saeed I. Khan; M. Frederick Hawthorne","Organic Syntheses on an Icosahedral Borane Surface: Closomer Structures with Twelvefold Functionality","Journal of the American Chemical Society","2005","127","","17832","17841","10.1021/ja055226m","","","0.71073","MoKα","","0.2065","0.0615","","","0.1264","0.1926","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112122","28.8687","0.001","17.4304","0.0004","12.8504","0.0004","90","","90","","90","","6466.2","0.3","296.1","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H60 Cl7 Cu7 Fe N6 S12 -","- C30 H60 Cl7 Cu7 Fe N6 S12 -","- C120 H240 Cl28 Cu28 Fe4 N24 S48 -","4","0.5","","Takashi Okubo; Ryo Kawajiri; Tadaoki Mitani; Tatsuya Shimoda","A Mixed-Valence Coordination Polymer Featuring Two-Dimensional Ferroelectric Order: {[CuI4CuII(Et2dtc)2Cl3][CuII(Et2dtc)2]2(FeCl4)}n (Et2dtc-= diethyldithiocarbamate)","Journal of the American Chemical Society","2005","127","","17598","17599","10.1021/ja056030p","","","0.71069","MoKα","","","0.0743","","","","0.1829","","","","","","1.657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112123","9.831","0.002","14.289","0.003","18.686","0.004","90","","97.58","0.03","90","","2602","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 N6 O7 Pd -","- C19 H36 N6 O7 Pd -","- C76 H144 N24 O28 Pd4 -","4","1","","Adelina M. Voutchkova; Leah N. Appelhans; Anthony R. Chianese; Robert H. Crabtree","Disubstituted Imidazolium-2-Carboxylates as Efficient Precursors to N-Heterocyclic Carbene Complexes of Rh, Ru, Ir, and Pd","Journal of the American Chemical Society","2005","127","","17624","17625","10.1021/ja056625k","","","0.71073","MoKα","","0.072","0.0469","","","0.1182","0.1296","","","","","","1.023","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112124","12.976","0.003","12.175","0.003","23.421","0.006","90","","91.686","0.005","90","","3698.5","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 B Cl2 Ir O2 P -","- C40 H49 B Cl2 Ir O2 P -","- C160 H196 B4 Cl8 Ir4 O8 P4 -","4","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0876","0.0468","","","0.0639","0.0713","","","","","","0.848","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112125","12.4262","0.001","10.0804","0.0008","15.6876","0.0012","90","","113.128","0.001","90","","1807.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 B F4 Ir O2 P -","- C15 H27 B F4 Ir O2 P -","- C60 H108 B4 F16 Ir4 O8 P4 -","4","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0491","0.0307","","","0.054","0.0568","","","","","","0.9","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112126","8.4587","0.0019","11.443","0.003","17.379","0.004","78.694","0.006","78.537","0.007","87.473","0.006","1616.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H57 Cl Ir N P2 -","- C29 H57 Cl Ir N P2 -","- C58 H114 Cl2 Ir2 N2 P4 -","2","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0535","0.0418","","","0.0663","0.0692","","","","","","0.914","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112127","8.9291","0.0004","11.4598","0.0005","18.4112","0.0008","84.507","0.001","82.528","0.001","70.603","0.001","1759.14","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H60 Cl Ir N P2 -","- C32 H60 Cl Ir N P2 -","- C64 H120 Cl2 Ir2 N2 P4 -","2","1","","Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro","C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand","Journal of the American Chemical Society","2005","127","","18074","18084","10.1021/ja0557233","","","0.71073","MoKα","","0.0321","0.0266","","","0.0516","0.0528","","","","","","0.9","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4119087","11.914","0.002","13.355","0.002","16.927","0.003","80.618","0.003","77.022","0.003","73.653","0.003","2504","0.7","153.2","","153.2","","","","","","","","","6","P -1","-P 1","2","tetraphenylarsonium Pb(II) iso-maleonitriledithiolate","","","- C112 H80 As4 N8 Pb2 S8 -","- C112 H80 As4 N8 Pb2 S8 -","- C112 H80 As4 N8 Pb2 S8 -","1","0.5","","Magyar, John S.; Weng, Tsu-Chien; Stern, Charlotte M.; Dye, David F.; Rous, Brian W.; Payne, John C.; Bridgewater, Brian M.; Mijovilovich, Ana; Parkin, Gerard; Zaleski, Jeffrey M.; Penner-Hahn, James E.; Godwin, Hilary Arnold","Reexamination of Lead(II) Coordination Preferences in Sulfur-Rich Sites: Implications for a Critical Mechanism of Lead Poisoning","Journal of the American Chemical Society","2005","127","26","9495","9505","10.1021/ja0424530","","x-ray","0.7107","MoKα","","0.0607","0.028","","0.058","0.054","","","","1.455","","","1.53","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119088","24.3801","0.0015","12.0679","0.0007","25.8748","0.0016","90","","108.663","0.001","90","","7212.5","0.8","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","holjs90","","","- C74 H106 Fe2 N4 O2 -","- C74 H106 Fe2 N4 O2 -","- C296 H424 Fe8 N16 O8 -","4","0.5","","Eckert, Nathan A.; Stoian, Sebastian; Smith, Jeremy M.; Bominaar, Emile L.; Münck, Eckard; Holland, Patrick L.","Synthesis, Structure, and Spectroscopy of an Oxodiiron(II) Complex","Journal of the American Chemical Society","2005","127","26","9344","9345","10.1021/ja0436704","","","0.71073","MoKα","","0.0928","0.0459","","","0.1054","0.119","","","","","","0.923","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119089","8.472","0.0017","31.716","0.006","10.229","0.002","90","","95.32","0.03","90","","2736.7","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Br N P2 Pt -","- C25 H40 Br N P2 Pt -","- C100 H160 Br4 N4 P8 Pt4 -","4","1","","Strawser, David; Karton, Amir; Zenkina, Olena V.; Iron, Mark A.; Shimon, Linda J. W.; Martin, Jan M. L.; van der Boom, Milko E.","Platinum Stilbazoles: Ring-Walking Coupled with Aryl−Halide Bond Activation","Journal of the American Chemical Society","2005","127","26","9322","9323","10.1021/ja050613h","","","0.71073","MoKα","","0.0416","0.0315","","","0.08","0.0846","","","","","","1.029","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119090","15.884","0.003","14.908","0.003","11.701","0.002","90","","90","","90","","2770.8","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H40 Br N P2 Pt -","- C25 H40 Br N P2 Pt -","- C100 H160 Br4 N4 P8 Pt4 -","4","1","","Strawser, David; Karton, Amir; Zenkina, Olena V.; Iron, Mark A.; Shimon, Linda J. W.; Martin, Jan M. L.; van der Boom, Milko E.","Platinum Stilbazoles: Ring-Walking Coupled with Aryl−Halide Bond Activation","Journal of the American Chemical Society","2005","127","26","9322","9323","10.1021/ja050613h","","","0.71073","MoKα","","0.0512","0.0434","","","0.111","0.1175","","","","","","1.049","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119091","17.5075","0.0005","12.4366","0.0004","36.567","0.001","90","","100.724","0.001","90","","7822.8","0.4","120.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H46 N4 O5 Pd2 -","- C41 H46 N4 O5 Pd2 -","- C328 H368 N32 O40 Pd16 -","8","2","","Naota, Takeshi; Koori, Hiroshi","Molecules That Assemble by Sound: An Application to the Instant Gelation of Stable Organic Fluids","Journal of the American Chemical Society","2005","127","26","9324","9325","10.1021/ja050809h","","","0.7107","MoKα","","","0.0701","","","","0.222","","","","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119092","10.7005","0.0002","10.8011","0.0002","15.941","0.0002","93.6235","0.0007","96.9252","0.0006","98.9763","0.0006","1800.24","0.05","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 N4 O4 Pd2 -","- C40 N4 O4 Pd2 -","- C80 N8 O8 Pd4 -","2","1","","Naota, Takeshi; Koori, Hiroshi","Molecules That Assemble by Sound: An Application to the Instant Gelation of Stable Organic Fluids","Journal of the American Chemical Society","2005","127","26","9324","9325","10.1021/ja050809h","","","0.7107","MoKα","","","0.0433","","","","0.1484","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119093","13.652","0.012","8.691","0.008","18.893","0.017","90","","103.219","0.015","90","","2182","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral Rodlike Platinum Complexes, Double Helical Chains, and Potential Asymmetric Hydrogenation Ligand Based on “Linear” Building Blocks: 1,8,9,16-Tetrahydroxytetraphenylene and 1,8,9,16-Tetrakis(diphenylphosphino)tetraphenylene","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1392","0.0533","","","0.0938","0.1271","","","","","","0.768","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119094","9.027","0.002","9.223","0.002","24.564","0.007","83.388","0.006","85.906","0.006","61.195","0.005","1779.8","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H30 Cu N4 -","- C16 H30 Cu N4 -","- C64 H120 Cu4 N16 -","4","2","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.1438","0.0567","","","0.1198","0.1365","","","","","","0.766","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119095","15.583","0.003","8.4294","0.0016","17.047","0.003","90","","95.89","0.004","90","","2227.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 Cu N4 -","- C20 H38 Cu N4 -","- C80 H152 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.1097","0.0518","","","0.1004","0.1147","","","","","","0.86","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119096","10.2709","0.0013","11.158","0.0013","11.7193","0.0014","73.52","0.002","81.317","0.002","76.174","0.002","1245.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Cu N4 -","- C26 H34 Cu N4 -","- C52 H68 Cu2 N8 -","2","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0329","0.0283","","","0.0751","0.0791","","","","","","1.026","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119097","20.73","0.015","14.223","0.011","10.114","0.007","90","","100.795","0.014","90","","2929","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 Cu N4 -","- C30 H42 Cu N4 -","- C120 H168 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0998","0.0708","","","0.1698","0.1858","","","","","","1.036","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119098","15.032","0.0019","10.7427","0.0014","20.453","0.003","90","","90","","90","","3302.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cu N4 -","- C16 H26 Cu N4 -","- C128 H208 Cu8 N32 -","8","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0629","0.0392","","","0.094","0.1074","","","","","","1.064","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119099","13.819","0.007","8.103","0.004","17.887","0.01","90","","110.282","0.01","90","","1878.7","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Cu N4 -","- C18 H30 Cu N4 -","- C72 H120 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0783","0.0685","","","0.1525","0.1564","","","","","","1.152","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119100","7.9157","0.0019","8.889","0.002","10.77","0.003","75.201","0.004","86.177","0.004","89.512","0.004","731","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 Cu N4 -","- C14 H22 Cu N4 -","- C28 H44 Cu2 N8 -","2","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0891","0.0518","","","0.1135","0.134","","","","","","1.022","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119101","11.437","0.007","21.583","0.013","9.476","0.006","90","","90","","90","","2339","2","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C26 H30 Cu N4 -","- C26 H30 Cu N4 -","- C104 H120 Cu4 N16 -","4","0.5","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0883","0.0469","","","0.0996","0.117","","","","","","0.994","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119102","19.364","0.003","9.8308","0.0015","19.536","0.003","90","","111.566","0.003","90","","3458.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cu N4 -","- C18 H26 Cu N4 -","- C144 H208 Cu8 N32 -","8","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71069","MoKα","","0.0725","0.0402","","","0.0988","0.1203","","","","","","1.021","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119103","5.2808","0.0005","10.0623","0.001","12.4829","0.0012","99.162","0.002","94.549","0.002","96.552","0.002","647.34","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 B O3 -","- C13 H19 B O3 -","- C26 H38 B2 O6 -","2","1","","Yamamoto, Yoshihiko; Ishii, Jun-ichi; Nishiyama, Hisao; Itoh, Kenji","Cp*RuCl-Catalyzed Formal Intermolecular Cyclotrimerization of Three Unsymmetrical Alkynes through a Boron Temporary Tether: Regioselective Four-Component Coupling Synthesis of Phthalides","Journal of the American Chemical Society","2005","127","26","9625","9631","10.1021/ja051377d","","","0.71073","MoKα","","0.0603","0.0531","","","0.1522","0.1609","","","","","","1.055","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119104","40.438","0.006","6.3214","0.001","20.7","0.003","90","","101.873","0.004","90","","5178.2","1.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N2 -","- C32 H40 N2 -","- C256 H320 N16 -","8","1","","Shiraishi, Kouichi; Rajca, Andrzej; Pink, Maren; Rajca, Suchada","π-Conjugated Conjoined Double Helicene via a Sequence of Three Oxidative CC- and NN-Homocouplings","Journal of the American Chemical Society","2005","127","26","9312","9313","10.1021/ja051521v","","","0.71073","MoKα","","0.0861","0.0508","","","0.1249","0.146","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4119105","10.327","0.003","11.067","0.006","11.692","0.01","112.33","0.05","97.31","0.06","106.79","0.04","1140.2","1.4","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 N2 O17 Zn3 -","- C44 H38 N2 O17 Zn3 -","- C44 H38 N2 O17 Zn3 -","1","0.5","","Dincǎ, Mircea; Long, Jeffrey R.","Strong H2Binding and Selective Gas Adsorption within the Microporous Coordination Solid Mg3(O2C-C10H6-CO2)3","Journal of the American Chemical Society","2005","127","26","9376","9377","10.1021/ja0523082","","","0.71073","MoKα","","0.0474","0.0364","","","0.0936","0.0976","","","","","","1.04","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119106","10.654","0.005","12.58","0.006","14.229","0.007","97.674","0.007","111.169","0.007","106.607","0.007","1643.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H43 B N6 Zr -","- C36 H43 B N6 Zr -","- C72 H86 B2 N12 Zr2 -","2","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.0425","0.0356","","","0.0816","0.0839","","","","","","1.038","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119107","16.345","0.006","18.565","0.007","16.86","0.006","90","","97.014","0.006","90","","5078","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H36 B2 F20 N6 Zr -","- C53 H36 B2 F20 N6 Zr -","- C212 H144 B8 F80 N24 Zr4 -","4","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.0709","0.0576","","","0.1166","0.1224","","","","","","1.192","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119108","10.793","0.002","28.245","0.006","19.166","0.004","90","","92.62","0.03","90","","5837","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H47 B2 Cl2 F20 N6 P Zr -","- C57 H46 B2 Cl1.932 F20 N6 P Zr -","- C228 H184 B8 Cl7.728 F80 N24 P4 Zr4 -","4","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.0621","0.0533","","","0.1153","0.1199","","","","","","1.081","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119109","20.044","0.004","16.076","0.003","20.135","0.004","90","","92.33","0.03","90","","6483","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H44 B Cl2 N6 Zr -","- C32.5 H44 B Cl2 N6 Zr -","- C260 H352 B8 Cl16 N48 Zr8 -","8","1","","Lee, Han; Jordan, Richard F.","Unusual Reactivity of Tris(pyrazolyl)borate Zirconium Benzyl Complexes","Journal of the American Chemical Society","2005","127","26","9384","9385","10.1021/ja0527673","","","0.71073","MoKα","","0.056","0.0382","","","0.0766","0.081","","","","","","0.962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122198","15.045","0.004","18.036","0.005","20.979","0.005","90","","101.493","0.004","90","","5579","3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 Mg3 N4 O16 -","- C56 H40 Mg3 N4 O16 -","- C224 H160 Mg12 N16 O64 -","4","0.5","","Dinca, Mircea; Long, Jeffrey R.","Strong H(2) binding and selective gas adsorption within the microporous coordination solid Mg(3)(O(2)C-C(10)H(6)-CO(2))(3).","Journal of the American Chemical Society","2005","127","26","9376","9377","10.1021/ja0523082","","","0.71073","MoKα","","0.2103","0.0821","","","0.1859","0.2414","","","","","","0.945","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122199","10.2723","0.0001","10.7498","0.0002","11.1337","0.0002","90.7169","0.0007","109.417","0.0007","112.276","0.0008","1059.37","0.03","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C48 H58 N2 O4 S2 -","2","1","","Mühlthau, Friedrich; Schuster, Oliver; Bach, Thorsten","High facial diastereoselectivity in intra- and intermolecular reactions of chiral benzylic cations.","Journal of the American Chemical Society","2005","127","26","9348","9349","10.1021/ja050626v","","","0.71073","MoKα","","0.0416","0.0412","","","0.1091","0.1094","","","","","","1.07","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122200","15.8891","0.0012","17.4754","0.0013","22.7912","0.0017","90","","106.583","0.002","90","","6065.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 O8 P4 -","- C72 H60 O7.2 P4 -","- C288 H240 O28.8 P16 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1675","0.0653","","","0.1449","0.1664","","","","","","0.837","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122201","15.7792","0.0009","13.6619","0.0008","16.2153","0.001","90","","117.712","0.001","90","","3094.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H76 O17 S4 -","- C65 H76 O17 S4 -","- C130 H152 O34 S8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1019","0.082","","","0.2057","0.2207","","","","","","1.018","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122202","9.0474","0.0008","18.2579","0.0016","9.0807","0.0009","90","","117.088","0.002","90","","1335.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C68 H48 N4 O8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0568","0.041","","","0.078","0.0838","","","","","","0.886","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122203","10.0479","0.0008","23.826","0.002","10.3766","0.0009","90","","96.601","0.002","90","","2467.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 N2 O4 -","- C34 H24 N2 O4 -","- C136 H96 N8 O16 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0839","0.0411","","","0.0552","0.0614","","","","","","0.748","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122204","9.8525","0.0006","17.7912","0.0011","13.3643","0.0009","90","","106.076","0.001","90","","2251","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O6 -","- C28 H24 O6 -","- C112 H96 O24 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.111","0.0566","","","0.1438","0.1637","","","","","","0.984","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122205","9.4368","0.0016","9.9806","0.0017","13.572","0.002","100.051","0.004","91.247","0.004","98.309","0.004","1244","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 N4 O4 -","- C32 H22 N4 O4 -","- C64 H44 N8 O8 -","2","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.1212","0.0609","","","0.1373","0.1529","","","","","","0.898","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122206","10.3423","0.0006","29.4187","0.0017","15.2361","0.0009","90","","96.53","0.001","90","","4605.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 F6 O9 P2 S2 -","- C50 H34 F6 O9 P2 S2 -","- C200 H136 F24 O36 P8 S8 -","4","1","","Peng, Hai-Yan; Lam, Chi-Keung; Mak, Thomas C. W.; Cai, Zongwei; Ma, Wai-Tang; Li, Yu-Xue; Wong, Henry N. C.","Chiral rodlike platinum complexes, double helical chains, and potential asymmetric hydrogenation ligand based on ""linear"" building blocks: 1,8,9,16-tetrahydroxytetraphenylene and 1,8,9,16-tetrakis(diphenylphosphino)tetraphenylene.","Journal of the American Chemical Society","2005","127","26","9603","9611","10.1021/ja051013l","","","0.71073","MoKα","","0.0787","0.0478","","","0.0956","0.104","","","","","","0.891","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122207","9.892","0.003","12.862","0.004","10.141","0.004","90","","105.381","0.018","90","","1244","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Br F3 N2 O5 -","- Br F3 N2 O5 -","- Br8 F24 N16 O40 -","8","1","","Lehmann, John F.; Schrobilgen, Gary J.","Synthesis and characterization of salts containing the BrO(3)F(2)(-) anion; a rare example of a bromine(VII) species.","Journal of the American Chemical Society","2005","127","26","9416","9427","10.1021/ja0402607","","","0.71073","MoKα","","0.0929","0.0671","","","0.1689","0.1813","","","","","","1.082","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122208","8.5718","0.0007","8.5718","0.0007","5.8117","0.0006","90","","90","","90","","427.02","0.07","100","2","100","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C4 H12 Br F2 N O3 -","- C4 H12 Br F2 N O3 -","- C8 H24 Br2 F4 N2 O6 -","2","0.125","","Lehmann, John F.; Schrobilgen, Gary J.","Synthesis and characterization of salts containing the BrO(3)F(2)(-) anion; a rare example of a bromine(VII) species.","Journal of the American Chemical Society","2005","127","26","9416","9427","10.1021/ja0402607","","","0.71073","MoKα","","0.0407","0.0314","","","0.0724","0.0761","","","","","","1.058","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122209","8.9781","0.0015","19.432","0.003","16.339","0.003","90","","103.873","0.003","90","","2767.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Cl3 F6 P Ru -","- C24 H33 Cl3 F6 P Ru -","- C96 H132 Cl12 F24 P4 Ru4 -","4","1","","O'connor, Joseph M.; Friese, Seth J.; Rodgers, Betsy L.; Rheingold, Arnold L.; Zakharov, Lev","An eta(6)-dienyne transition-metal complex.","Journal of the American Chemical Society","2005","127","26","9346","9347","10.1021/ja042272y","","","0.71073","MoKα","","0.0459","0.0434","","","0.1065","0.1082","","","","","","1.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122210","11.647","0.003","11.647","0.003","26.381","0.008","90","","90","","90","","3578.7","1.7","213","2","213","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H32 Cl2 Ni P2 -","- C44 H32 Cl2 Ni P2 -","- C176 H128 Cl8 Ni4 P8 -","4","0.5","","Evans, David A.; Thomson, Regan J.; Franco, Francisco","Ni(II) Tol-BINAP-Catalyzed Enantioselective Michael Reactions of β-Ketoesters and Unsaturated N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","31","10816","10817","10.1021/ja053820q","","","0.71073","MoKα","","0.0502","0.0343","","","0.0686","0.0732","","","","","","1.014","","","","has coordinates","219219","2020-10-21","18:00:00",""
"4124026","9.6479","","10.4721","","9.3","","90","","90","","90","","939.614","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K (C F3)3 B N C","","- C4 B F9 K N -","- C4 B F9 K N -","- C16 B4 F36 K4 N4 -","4","0.5","","Finze, M.; Bernhardt, E.; Willner, H.; Lehmann, C.W.","Cyano-and isocyanotris(trifluoromethyl)borates: syntheses, spectroscopic properties, and solid state structures of K [(C F3)3 B C N] and K [(C F3)3 B N C]","Journal of the American Chemical Society","2005","127","","10712","10722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124101","4.3732","","25.973","","4.3849","","90","","90","","90","","498.059","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Ce Te3 -","- Ce Te3 -","- Ce4 Te12 -","4","0.5","","Malliakas, C.; Billinge, S.J.L.; Kim, H.-J.; Kanatzidis, M.G.","Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RE Te3 (RE= rare-earth element)","Journal of the American Chemical Society","2005","127","","6510","6511","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124102","4.3566","","25.888","","4.3606","","90","","90","","90","","491.804","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Pr Te3 -","- Pr Te3 -","- Pr4 Te12 -","4","0.5","","Malliakas, C.; Billinge, S.J.L.; Kanatzidis, M.G.; Kim, H.-J.","Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RETe3 (RE = rare-earth element)","Journal of the American Chemical Society","2005","127","","6510","6511","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124103","4.3469","","25.851","","4.3629","","90","","90","","90","","490.267","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Nd Te3 -","- Nd Te3 -","- Nd4 Te12 -","4","0.5","","Malliakas, C.; Kim, H.-J.; Billinge, S.J.L.; Kanatzidis, M.G.","Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RETe3 (RE = rare-earth element)","Journal of the American Chemical Society","2005","127","","6510","6511","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124107","10.201","","10.201","","10.201","","90","","90","","90","","1061.52","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ga Ta4 Se8","","- Ga Se8 Ta4 -","- Ga Se8 Ta4 -","- Ga4 Se32 Ta16 -","4","0.0416667","","Pocha, R.; Ni, B.; Johrendt, D.; Abd-Elmeguid, M.M.","Crystal structures, electronic properties and pressure induced superconductivity of the tetrahedral cluster compounds Ga Nb4 S8, Ga Nb4 Se8 and Ga Ta4 Se8","Journal of the American Chemical Society","2005","127","","8732","8740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4129215","13.2588","0.0008","10.3996","0.0006","17.3331","0.001","90","","108.54","0.001","90","","2266","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","1","","Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.","MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.","Journal of the American Chemical Society","2005","127","15","5613","5624","10.1021/ja044643g","","","0.71073","MoKα","","0.0335","0.0277","","","0.0723","0.0764","","","","","","1.037","","","","has coordinates","239997","2020-10-21","18:00:00",""
"4129216","10.7229","0.0011","17.7077","0.0019","24.76","0.003","90","","90.914","0.002","90","","4700.8","0.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C128 H144 F96 N16 O32 Zn8 -","8","2","","Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.","MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.","Journal of the American Chemical Society","2005","127","15","5613","5624","10.1021/ja044643g","","","0.71073","MoKα","","0.0736","0.0562","","","0.1513","0.163","","","","","","1.024","","","","has coordinates,has disorder","239998","2020-10-21","18:00:00",""
"4129217","18.216","0.006","10.448","0.002","13.242","0.004","90","","105.617","0.015","90","","2427.2","1.2","280","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 F12 N2 O4 Zn -","- C16 H18 F12 N2 O4 Zn -","- C64 H72 F48 N8 O16 Zn4 -","4","0.5","","Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.","MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.","Journal of the American Chemical Society","2005","127","15","5613","5624","10.1021/ja044643g","","","0.71073","MoKα","","0.0963","0.0447","","","0.1222","0.1454","","","","","","0.953","","","","has coordinates,has disorder","239999","2020-10-21","18:00:00",""
"4129218","11.939","0.003","12.033","0.003","12.538","0.003","72.016","0.004","61.72","0.004","67.79","0.004","1449.9","0.6","169","2","169","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H46 Li3 O6 -","- C24 H46 Li3 O6 -","- C48 H92 Li6 O12 -","2","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0864","0.0695","","","0.1877","0.2018","","","","","","1.025","","","","has coordinates","240000","2020-10-21","18:00:00",""
"4129219","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4724","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0636","0.0344","","","0.0812","0.0908","","","","","","0.632","","","","has coordinates","240001","2020-10-21","18:00:00",""
"4129220","9.119","0.007","24.277","0.017","17.121","0.012","90","","93.528","0.016","90","","3783","5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Al Li O4 -","- C38 H62 Al Li O4 -","- C152 H248 Al4 Li4 O16 -","4","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0979","0.0631","","","0.1522","0.1695","","","","","","1.022","","","","has coordinates","240002","2020-10-21","18:00:00",""
"4129221","19.1932","0.001","10.1436","0.0005","19.6711","0.001","90","","93.812","0.001","90","","3821.3","0.3","150","1","150","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0471","0.0396","","","0.1036","0.1093","","","","","","1.025","","","","has coordinates","240003","2020-10-21","18:00:00",""
"4129222","15.297","0.0009","11.9528","0.0007","14.1961","0.0008","90","","97.659","0.001","90","","2572.5","0.3","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 Fe N12 Si2 -","- C46 H56 B2 Fe N12 Si2 -","- C92 H112 B4 Fe2 N24 Si4 -","2","0.5","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0849","0.0638","","","0.1672","0.1803","","","","","","1.016","","","","has coordinates,has disorder","240004","2020-10-21","18:00:00",""
"4129223","19.2722","0.001","10.1801","0.0005","20.1124","0.001","90","","92.995","0.001","90","","3940.5","0.3","294","1","294","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0619","0.0446","","","0.1156","0.127","","","","","","1.028","","","","has coordinates","240005","2020-10-21","18:00:00",""
"4129224","18.7923","0.001","10.1073","0.0005","19.8578","0.001","90","","94.987","0.001","90","","3757.5","0.3","90","1","90","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H40 B2 Fe N12 -","- C40 H40 B2 Fe N12 -","- C160 H160 B8 Fe4 N48 -","4","1","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0448","0.0382","","","0.0963","0.1008","","","","","","1.03","","","","has coordinates","240006","2020-10-21","18:00:00",""
"4129225","25.957","0.0012","10.0679","0.0005","21.0622","0.001","90","","120.673","0.001","90","","4734.2","0.4","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 B2 Fe N12 -","- C52 H48 B2 Fe N12 -","- C208 H192 B8 Fe4 N48 -","4","0.5","","Reger, Daniel L.; Gardinier, James R.; Gemmill, William R.; Smith, Mark D.; Shahin, Ahmed M.; Long, Gary J.; Rebbouh, Leila; Grandjean, Fernande","Formation of third generation poly(pyrazolyl)borate ligands from alkyne coupling reactions of Fe[(p-IC6H4)B(3-Rpz)3]2 (R = H, Me; pz = pyrazolyl): pathways toward controlling an iron(II) electronic spin-state crossover.","Journal of the American Chemical Society","2005","127","7","2303","2316","10.1021/ja044900h","","","0.71073","MoKα","","0.0617","0.0443","","","0.1009","0.1064","","","","","","0.972","","","","has coordinates","240007","2020-10-21","18:00:00",""
"4129226","11.0861","0.0005","12.1285","0.0005","16.1999","0.0007","68.696","0.001","81.587","0.001","88.82","0.001","2006.27","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","- C82 H48 B2 Cu2 F40 N6 O6 -","1","0.5","","Shearer, Jason; Zhang, Christiana Xin; Zakharov, Lev N.; Rheingold, Arnold L.; Karlin, Kenneth D.","Substrate oxidation by copper-dioxygen adducts: mechanistic considerations.","Journal of the American Chemical Society","2005","127","15","5469","5483","10.1021/ja045191a","","","0.71073","MoKα","","0.0407","0.0356","","","0.0985","0.1026","","","","","","0.987","","","","has coordinates","240008","2020-10-21","18:00:00",""
"4129227","11.2987","0.0004","14.7901","0.0005","15.8237","0.0006","108.725","0.002","104.597","0.002","105.35","0.002","2244.56","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H68 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","- C89 H60 B2 Cu2 F40 N10 O3 -","1","0.5","","Shearer, Jason; Zhang, Christiana Xin; Zakharov, Lev N.; Rheingold, Arnold L.; Karlin, Kenneth D.","Substrate oxidation by copper-dioxygen adducts: mechanistic considerations.","Journal of the American Chemical Society","2005","127","15","5469","5483","10.1021/ja045191a","","","0.71073","MoKα","","0.0925","0.0589","","","0.1712","0.201","","","","","","1.141","","","","has coordinates","240009","2020-10-21","18:00:00",""
"4129228","13.1013","0.0014","14.4428","0.0016","16.9894","0.0019","77.984","0.002","67.962","0.001","89.536","0.002","2905.8","0.6","98","2","98","2","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoOSiPh3","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0456","0.0336","","","0.0673","0.0698","","","","","","1.486","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129229","38.2238","0.0008","38.2238","0.0008","12.4091","0.0005","90","","90","","90","","18130.4","0.9","98","2","98","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[PhBP3]CoO(4-tBu-Ph)","","","- C55 H54 B Co O P3 -","- C55 H54 B Co O P3 -","- C880 H864 B16 Co16 O16 P48 -","16","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.097","0.056","","","0.0808","0.0837","","","","","","3.011","","","","has coordinates,has disorder","240010","2020-10-21","18:00:00",""
"4129230","16.8066","0.0016","14.0767","0.0013","19.2736","0.0018","90","","113.801","0.002","90","","4172","0.7","96","","96","2","","","","","","","","6","P 1 21 1","P 2yb","4","[PhBP3]CoSPh","","","- C102 H92 B2 Co2 P6 S2 -","- C51 H46 B Co P3 S -","- C204 H184 B4 Co4 P12 S4 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0857","0.0463","","","0.0661","0.0722","","","","","","1.036","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129231","12.0158","0.0009","12.5469","0.0009","15.5078","0.0012","77.78","0.001","77.546","0.001","77.919","0.001","2198.2","0.3","100","","100","2","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,6-Me2-Ph)","","","- C53 H50 B Co P3 S -","- C53 H50 B Co P3 S -","- C106 H100 B2 Co2 P6 S2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0566","0.0405","","","0.0743","0.0762","","","","","","2.117","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129232","15.3738","0.0011","17.3171","0.0013","20.7953","0.0015","65.655","0.001","87.329","0.002","88.642","0.002","5038.5","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-iPr-Ph)","","","- C60 H64 B Co P3 S -","- C60 H64 B Co P3 S -","- C240 H256 B4 Co4 P12 S4 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0977","0.0482","","","0.0836","0.0931","","","","","","1.098","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129233","13.8333","0.001","13.9539","0.001","17.5922","0.0013","99.145","0.001","106.587","0.001","107.029","0.001","3000.8","0.4","96","","96","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoS(2,4,6-tBu-Ph)","","","- C69 H76 B Co P3 S -","- C69 H76 B Co P3 S -","- C138 H152 B2 Co2 P6 S2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1759","0.0663","","","0.1133","0.1318","","","","","","1.576","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129234","11.0416","0.0008","12.8426","0.0009","22.3975","0.0015","87.228","0.001","81.435","0.001","73.024","0.001","3003.7","0.4","96","","96","","","","","","","","","7","P -1","-P 1","2","[PhBP3]CoSSiPh3","","","- C75 H68 B Co P3 S Si -","- C75 H68 B Co P3 S Si -","- C150 H136 B2 Co2 P6 S2 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1081","0.0529","","","0.0777","0.0863","","","","","","1.216","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129235","12.1092","0.0011","12.3919","0.0011","21.3227","0.0019","80.696","0.002","75.993","0.002","72.962","0.001","2954","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","[PhBP3]CoO(4-NMe2-Ph)3","","","- C69 H71 B Co N3 O P3 Si -","- C69 H71 B Co N3 O P3 Si -","- C138 H142 B2 Co2 N6 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0877","0.0485","","","0.0712","0.0751","","","","","","1.734","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129236","12.942","0.001","20.8485","0.0015","21.5457","0.0016","77.529","0.001","82.143","0.001","88.626","0.001","5622.9","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","[PhBP3]CoOCPh3","","","- C70 H62 B Co O P3 -","- C70 H62 B Co O P3 -","- C280 H248 B4 Co4 O4 P12 -","4","2","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0797","0.0457","","","0.0867","0.093","","","","","","1.406","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129237","10.3161","0.0004","14.4678","0.0006","29.963","0.0013","90","","90","","90","","4472","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PhBPiPr3]CoSSiPh3","","","- C45 H68 B Co P3 S Si -","- C45 H68 B Co P3 S Si -","- C180 H272 B4 Co4 P12 S4 Si4 -","4","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0587","0.0431","","","0.0606","0.0622","","","","","","1.37","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129238","13.592","0.002","14.814","0.002","19.251","0.003","72.567","0.003","87.945","0.003","82.565","0.002","3667.1","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","{[PhBP3]CoOSiPh3}{BPh4}","","","- C88.5 H79 B2 Cl1.5 Co O P3 Si -","- C88.5 H79 B2 Cl3 Co O P3 Si -","- C177 H158 B4 Cl6 Co2 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1658","0.0643","","","0.1156","0.1381","","","","","","1.11","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129239","23.0774","0.0018","13.6982","0.001","7.9439","0.0006","90","","90","","90","","2511.2","0.3","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","(Tp*)CoS(2,6-Me2-Ph)","","","- C23 H31 B Co N6 S -","- C23 H31 B Co N6 S -","- C92 H124 B4 Co4 N24 S4 -","4","0.5","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.07","0.0468","","","0.0722","0.0737","","","","","","2.108","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129240","13.4295","0.0015","14.5619","0.0017","17.357","0.002","78.183","0.002","68.286","0.002","88.981","0.002","3080.4","0.6","295","","295","","","","","","","","","7","P -1","-P 1","2","BP3CoOSiPh3 295K","","","- C72 H65 B Co O P3 Si -","- C72 H65 B Co O P3 Si -","- C144 H130 B2 Co2 O2 P6 Si2 -","2","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.1288","0.0534","","","0.0738","0.0854","","","","","","1.063","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129241","11.087","0.002","15.273","0.003","19.948","0.004","90","","97.973","0.003","90","","3345.2","1.1","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(cyclo-P3)Mo(OCy)3(HN[i-Pr]Ar)","","","- C29 H50 Mo N O3 P3 -","- C29 H50 Mo N O3 P3 -","- C116 H200 Mo4 N4 O12 P12 -","4","1","","Stephens, Frances H.; Johnson, Marc J. A.; Cummins, Christopher C.; Kryatova, Olga P.; Kryatov, Sergey V.; Rybak-Akimova, Elena V; McDonough, J. Eric; Hoff, Carl D.","Mechanism of white phosphorus activation by three-coordinate molybdenum(III) complexes: a thermochemical, kinetic, and quantum chemical investigation.","Journal of the American Chemical Society","2005","127","43","15191","15200","10.1021/ja054253+","","","0.71073","MoKα","","0.058","0.0539","","","0.092","0.0932","","","","","","1.374","","","","has coordinates","240011","2020-10-21","18:00:00",""